phenylmagnesium bromide

CAS No. 100-58-3

Formula: C6H5BrMg
Basic Info

Phenylmagnesium bromide, with the simplified formula C 6H 5MgBr, is a magnesium-containing organometallic compound. It is commercially available as a solution in diethyl ether or tetrahydrofuran (THF). Phenylmagnesium bromide is a Grignard reagent. It is often used as a synthetic equivalent for the phenyl "Ph−" synthon.

Formula
C6H5BrMg
Molecular Weight
181.313
Exact Mass
179.943
LogP
2.3324
PSA
0
Synonyms

Phenylmagnesiumbromide,3Minether

Phenylmagnesium Bromide

Phenylbromomagnesium

bromophenyl-magnesiu

Magnesium,bromophenyl

Phenylmagnesi

bromophenylmagnesium

phenylmagnesiumbromidesolution

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Properties
Appearance & Physical State
Colorless crystals
Density
1.14
Boiling Point
78.8ºC at 760 mmHg
Flash Point
-11ºC
Storage Condition
water-free area
Safety Info
Safety Statements
S16-S33-S36/37/39-S43-S45-S6-S7/8
WGK Germany
1
Risk Statements
R11; R14; R19; R34
HS Code
2931900090
RIDADR
UN 3399
Hazard Class
4.3
Packing Group
II
Caution Statement
P210; P260; P280; P305 + P351 + P338; P370 + P378; P403 + P235
Hazard Codes
Hazard Declaration
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name phenylmagnesium bromide

1.2 Other means of identification

Product number -
Other names Phenylmagnesiumbromide,3Minether

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
phenylmagnesium bromide phenylmagnesium bromide 100-58-3 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Colorless crystals
Colour no data available
Odour no data available
Melting point/ freezing point 339°C(lit.)
Boiling point or initial boiling point and boiling range 269°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point -17°C
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 1.004g/mLat 25°C
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2924 IMDG: UN2924 IATA: UN2924

14.2 UN Proper Shipping Name

ADR/RID: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
IMDG: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
IATA: FLAMMABLE LIQUID, CORROSIVE, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
phenylmagnesium bromide phenylmagnesium bromide 100-58-3 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: Phenylmagnesium bromide 1M solution in THF Material Safety Data Sheet
Synonym: None Known
CAS: 100-58-3
Section 1 - Chemical Product   MSDS Name:Phenylmagnesium bromide 1M solution in THF Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
100-58-3 Magnesium, bromophenyl- 18 202-867-2
Hazard Symbols: F C
Risk Phrases: 11 14/15 19 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Reacts violently with water liberating extremely flammable gases. May form explosive peroxides. Causes burns.Water-reactive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns. May be absorbed through the skin.
Ingestion:
Causes gastrointestinal tract burns. May cause central nervous system depression. May be harmful if swallowed.
Inhalation:
Inhalation of high concentrations may cause central nervous system effects characterized by nausea, headache, dizziness, unconsciousness and coma. Causes chemical burns to the respiratory tract. Vapors may cause dizziness or suffocation. Inhalation may cause coughing, difficulty breathing and loss of consciousness.
Chronic:
Prolonged or repeated eye contact may cause conjunctivitis.
Prolonged or repeated skin contact may cause defatting and dermatitis. May cause liver and kidney damage. May cause lung damage.
Narcotic in high concentrations.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively. Persons with skin problems or liver, kidney, lung, or blood diseases may be at increased risk from exposure to this substance.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Exposure to heat may promote violent decomposition.
Will burn if involved in a fire. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. May form explosive peroxides. Extremely flammable liquid and vapor. Vapor may cause flash fire. Vapors are heavier than air and may travel to a source of ignition and flash back. Vapors can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use carbon dioxide or dry chemical. DO NOT USE WATER OR FOAM.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Use water spray to dilute spill to a non-flammable mixture. Avoid runoff into storm sewers and ditches which lead to waterways. Remove all sources of ignition. Use a spark-proof tool. Isolate area and deny entry. Provide ventilation.
Do not expose spill to water.

Section 7 - HANDLING and STORAGE
  Handling:
Do not allow water to get into the container because of violent reaction. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Take precautionary measures against static discharges. Do not allow contact with water. Use only in a chemical fume hood. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Keep away from heat, sparks and flame.
Storage:
Keep away from sources of ignition. Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.
Flammables-area. Corrosives area. Water free area. Regularly check inhibitor levels to maintain peroxide levels below 1%. Store under nitrogen. Containers should be dated when opened and tested periodically for the presence of peroxides. Should crystals form in a peroxidizable liquid, peroxidation may have occurred and the product should be considered extremely dangerous. In this instance, the container should only be opened remotely by professionals. All peroxidizable substances should be stored away from heat and light and be protected from ignition sources.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 100-58-3: CAS# 109-99-9: United Kingdom, WEL - TWA: 50 ppm TWA; 150 mg/m3 TWA United Kingdom, WEL - STEL: 100 ppm STEL; 300 mg/m3 STEL United States OSHA: 200 ppm TWA; 590 mg/m3 TWA Belgium - TWA: 200 ppm VLE; 599 mg/m3 VLE Belgium - STEL: 100 ppm VLE; 300 mg/m3 VLE France - VME: 200 ppm VME; 590 mg/m3 VME Germany: 50 ppm TWA; 150 mg/m3 TWA Germany: Skin absorber Japan: 200 ppm OEL; 590 mg/m3 OEL Malaysia: 200 ppm TWA; 590 mg/m3 TWA Netherlands: 100 ppm MAC; 300 mg/m3 MAC Russia: 100 mg/m3 TWA Spain: 50 ppm VLA-ED; 150 mg/m3 VLA-ED Spain: 100 ppm VLA-EC; 300 mg/m3 VLA-EC Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: gray to brown black
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: -17 deg C ( 1.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: vigorous reaction
Specific Gravity/Density: 1.004
Molecular Formula: C6H5BrMg
Molecular Weight: 181.31

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Decomposes when heated. Air sensitive. Reacts violently with water.
Light sensitive. Under normal storage conditions, peroxidizable compounds can form and accumulate peroxides which may explode when subjected to heat or shock. This material is most hazardous when peroxide levels are concentrated by distillation or evaporation. THF should never be distilled to dryness. Prolonged exposure to air, even from extended storage time, can deplete BHT inhibitor and rapidly accelerate THF-peroxide formation.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, exposure to moist air or water, evaporating to near dryness, prolonged exposure to air, excess light, confined spaces.
Incompatibilities with Other Materials:
Sodium aluminum hydride, sodium tetrahydroaluminate, lithium tetrahydroaluminate, borane, metal halides, strong oxidizing agents, strong acids, oxygen, caustic alkalis, bromine.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine fumes, oxides of magnesium.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 100-58-3 unlisted.
CAS# 109-99-9: LU5950000 LD50/LC50:
Not available.
CAS# 109-99-9: Inhalation, rat: LC50 = 21000 ppm/3H; Oral, rat: LD50 = 1650 mg/kg.
Carcinogenicity:
Magnesium, bromophenyl- - Not listed by ACGIH, IARC, or NTP.
Tetrahydrofuran - ACGIH: A3 - Confirmed animal carcinogen with unknown relevance to Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Fathead Minnow: LC50 = 2160 mg/L; 96 Hr; Flow through bioassay (pH 7.5)Water flea Daphnia: EC50 =5930 mg/L; 24 HrTetrahydrofuran is not expected to adsorb to suspended matter in the water based on its measured Koc values. This compound should volatilize from water surfaces. An estimated BCF value of 1 suggests that tetrahydrofuran will not bioconcentrate in aquatic organisms.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: ORGANOMETALLIC COMPOUND DISPERSION, WATER-REACTIVE
, FLAMMABLE, N.O.S.* (forbidden to ship via passe)
Hazard Class: 4.3 (3)
UN Number: 3207
Packing Group: I
IMO
Shipping Name: ORGANOMETALLIC COMPOUND DISPERSION, WATER-REACTIVE
, FLAMMABLE, N.O.S.
Hazard Class: 4.3 (3)
UN Number: 3207
Packing Group: I
RID/ADR
Shipping Name: ORGANOMETALLIC COMPOUND DISPERSION, WATER-REACTIVE
, FLAMMABLE, N.O.S.
Hazard Class: 4.3 (3)
UN Number: 3207
Packing group: I
USA RQ: CAS# 109-99-9: 1000 lb final RQ; 454 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C
Risk Phrases:
R 11 Highly flammable.
R 14/15 Reacts violently with water liberating
extremely flammable gases.
R 19 May form explosive peroxides.
R 34 Causes burns.
Safety Phrases:
S 6A Keep under nitrogen.
S 7/8 Keep container tightly closed and dry.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 43B In case of fire, use fire-fighting equipment
on basis of sodium chloride, sodium bicarbonate (never
use water).
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 100-58-3: No information available.
CAS# 109-99-9: 1
Canada
CAS# 100-58-3 is listed on Canada's DSL List.
CAS# 109-99-9 is listed on Canada's DSL List.
CAS# 100-58-3 is not listed on Canada's Ingredient Disclosure List.
CAS# 109-99-9 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 100-58-3 is listed on the TSCA inventory.
CAS# 109-99-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum Predict 1H proton NMR
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ESR Spectrum ESR : REACTION WITH 4-METHOXYBENZOYLDURENE IN THF
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Synthesis Route

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