28772-56-7 structure, C30H23BrO4

Bromadiolone

CAS No.

28772-56-7

Formula:

C30H23BrO4

Basic Info

Bromadiolone is a potent anticoagulant rodenticide. It is a second-generation 4-hydroxycoumarin derivative and vitamin K antagonist, often called a "super-warfarin" for its added potency and tendency to accumulate in the liver of the poisoned organism. When first introduced to the UK market in 1980, it was effective against the populations that had become resistant to the first generation anticoagulants.
The product may be used both indoors and outdoors for rats and mice.
It is classified as an extremely hazardous substance in the United States as defined in Section 302 of the U.S. Emergency Planning and Community Right-to-Know Act (42 U.S.C. 11002), and is subject to strict reporting requirements by facilities which produce, store, or use it in significant quantities.

Formula
C30H23BrO4
Molecular Weight
527.405
Exact Mass
526.078
LogP
7.1837
PSA
70.67
Synonyms

3-[3-(4’-bromo[1,1’-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one

Bromone

bromodiolone

3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one

Contrax

3-[(1RS,3SR)-3-(4’-bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxycoumarin

bromodialone

Bromore

Bromadiolone

Broprodifacoum

Bromatrol

Maki

Contrac

3-[(1Ξ,3Ξ)-3-(4’-bromo[1,1’-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one

Ratimus

3-(3-(4'-Bromo-[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-chromen-2-one

3-{3-[4'-bromo(1,1'-biphenyl)-4-yl]-3-hydroxy-1-phenylpropyl}-4-hydroxy-2-benzopyrone

Bromadiolon

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Properties

Appearance & Physical State
Yellowish powder.
Density
1.454 g/cm3
Boiling Point
687ºCat 760 mmHg
Melting Point
200-210ºC
Flash Point
369.3ºC
Refractive Index
1.687
Storage Condition
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Vapor Pressure
0mmHg at 25°C

Safety Info

RTECS
GN4934700
Safety Statements
S28-S36/37/39-S45
Risk Statements
R27/28
RIDADR
UN 2811
Hazard Class
6.1(a)
Packing Group
I
Hazard Codes

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 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Bromadiolone

1.2 Other means of identification

Product number -
Other names 3-[3-(4’-bromo[1,1’-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one

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

Acute toxicity - Oral, Category 1

Acute toxicity - Dermal, Category 1

Acute toxicity - Inhalation, Category 1

Specific target organ toxicity – repeated exposure, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H310 Fatal in contact with skin

H330 Fatal if inhaled

H372 Causes damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

H360D

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P262 Do not get in eyes, on skin, or on clothing.

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

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

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P273 Avoid release to the environment.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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

P320 Specific treatment is urgent (see ... on this label).

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
Bromadiolone Bromadiolone 28772-56-7 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

The compound is toxic by oral exposure. (EPA, 1998)

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

VETERINARY: Injured capillaries cannot be mended, but other measures may save the animal. Restraint & handling should be minimized. A sedative or tranquilizer may be of assistance in restraint, calming ... and reducing locomotion, thus decr tissue oxygen demand. Oxygen may be given, but manual pumping of chest is not advisable. Dyspnea may be relieved by thoracentesis. Clotting factors should be provided in form of blood transfusion (20 mL/kg, 1/2 injected quickly). Warfarin should be antagonized with slow iv injection of vitamin K1. Dogs and cats are given 5 mg/kg. This dose is repeated for 2 more days, using im route. Larger animals are given 0.5 to 1 mg/kg, and oral vitamin K1 should be admin daily for 4-6 days. The vitamin will not evoke a sudden dramatic cure; but bleeding tendency will gradually abate as clotting factors begin to be synthesized ... Menadione (vitamin K3) is not as effective as vitamin K1 ... Residual defects such as lameness or CNS signs from localized hemorrhages may disappear with gradual resorption of extravasated blood. Liver damage may be compensated by regeneration of hepatic cells. /Warfarin/

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

(Non-Specific -- Coumarin Derivative Pesticide, Solid, n.o.s.) Fire may produce irritating or poisonous gases. Runoff from fire control water may give off poisonous gases. Runoff from fire control or dilution water may cause pollution. When heated to decomposition, it emits toxic fumes of bromine containing compounds. (EPA, 1998)

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

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

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

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 Yellowish powder.
Colour White to off-white powder
Odour Odorless
Melting point/ freezing point 200-210ºC
Boiling point or initial boiling point and boiling range 687ºCat 760 mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 369.3ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water, >1.14X10+4 at pH 5, 2.48X10-3 at pH 7, 0.180 at pH 9 (all in g/L at 20°C)
Partition coefficient n-octanol/water (log value) log Kow > 5 (pH 4-5, 20-25°C); log Kow = 3.8-4.1 (pH 6-7, 20-25°C); log Kow = 2.5-3.2 (pH 9-10, 20-25°C); log Kow = 4.3 (in purified water at 23°C, pH not stated)
Vapour pressure 0mmHg at 25°C
Density and/or relative density 1.454 g/cm3
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

Thermally stable below 200°C. /technical, 97% pure/

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

When heated to decomposition it emits toxic fumes of Br-.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 0.56-0.84 mg/kg
  • 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: LC50; Species: Lepomis macrochirus (Bluegill); Conditions: freshwater, static; Concentration: 3000 ug/L for 96 hr (95% confidence interval: 2400-3700 ug/L)
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water Flea) age <24 hr; Conditions: freshwater, flow through; Concentration: 2000 ug/L for 48 hr (95% confidence interval: 1800-2600 ug/L); Effect: intoxication, immobilization /98.75% purity
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Using OECD 301B (CO2 evolution method), bromadiolone showed 0% degradation after the 28-day incubation period which classified the compound as not readily biodegradable(1). Bromadiolone was also found to be not readily biodegradable using OECD 301D (closed bottle method) where maximum degradation reached only 31%(1). Using OECD 302D (CO2 production measured as inorganic carbon in mixed micro-organism populations), bromadiolone degradation reached a maximum of only 2% which classified the compound as not inherently biodegradable(1).

12.3 Bioaccumulative potential

Using bluegill sunfish (Lepomis macrochirus) and the OECD 305E method, bromadiolone was found to have a maximum BCF of 460 for whole fish(1). In a second study using channel catfish (Ictalurus punctatus), the whole fish BCF was 74 after 14 days(1). In both of these studies the BCF reliability was considered low due, in part, to high mortality in the exposed group of fish(1). A fish bioconcentration study with rainbow trout (Oncorhynchus mykiss) was performed, but it failed due to high mortalities of the fish(1). An estimated BCF range of 125 to >513 was calculated in fish for bromadiolone(SRC), using measured log Kow values of >5.0 at pH 4-5 and 4.07 at pH 7(1) and a regression-derived equation(2). According to a classification scheme(3), the estimated BCF values and whole fish BCF value in Bluegill sunfish suggest the potential for bioconcentration in aquatic organisms is high(SRC).

12.4 Mobility in soil

In one laboratory soil adsorption study, bromadiolone was found to have Koc values ranging from 1563-1709 (mean of 1632)(1). In another sorption study using five different soil types, bromadiolone had Koc values ranging from 3530-41600 with three of the five values above 4000(1). According to a classification scheme(2), these Koc values suggest that bromadiolone adsorption is expected to range from low mobility in soil to being immobile in soil. Results of laboratory soil column leaching and aged leaching studies indicate that bromadiolone and any potential degradation products, even if released indirectly to soil in small quantities, are not likely to move through the soil profile(1).

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: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1(a) IMDG: 6.1(a) IATA: 6.1(a)

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

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
Bromadiolone Bromadiolone 28772-56-7 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not 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) Listed.

16.Other information

Information on revision

Creation Date Aug 20, 2017
Revision Date Aug 20, 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.

Spectrum

NMR Spectrum 1H NMR : Predict
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Toxicity

ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
490 ug/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
MARDI Research Bulletin. (MARDI, Secy., Publication Committee, POB 2301, Kuala Lumpur 01-02, Selangor, Malaysia) V.1- 1973- Volume(issue)/page/year: 13,303,1985
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
1750 ug/kg
Toxic Effects
Blood--hemorrhage<br>Blood--change in clotting factors
Reference
Phytiatrie-Phytopharmacie. (Societe Francaise de Phytiatrie et de Phytopharmacie, Etoile de Choisy, Route de St-Cyr, 78000 Versailles, France) V.1- 1952- Volume(issue)/page/year: 25,69,1976
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Mammal - dog
Dose/Duration
8100 ug/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Defense des Vegetaux. (Federation Nationale des Groupements de Protection des Cultures, 149, rue de Bercy, 75595 Paris Cedex, 12, France) V.1- 1947- Volume(issue)/page/year: 43(255-256),18,1989

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