Tert-Butyllithium

CAS No. 594-19-4

Formula: C4H9Li
Basic Info

tert-Butyllithium is a chemical compound with the formula (CH3)3CLi. As an organolithium compound, it has applications in organic synthesis since it is a strong base, capable of deprotonating many carbon acids, including benzene. tert-Butyllithium is available commercially as hydrocarbon solutions; it is not usually prepared in the laboratory. Its synthesis was first reported by R. B. Woodward in 1941.

Formula
C4H9Li
Molecular Weight
64.0553
Exact Mass
64.0864
LogP
1.7541
PSA
0
Synonyms

lithium, 2-methylpropane

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Properties
Appearance & Physical State
Clear solid/liquid mixture
Density
0.652
Boiling Point
36-40ºC
Flash Point
-49ºC
Storage Condition
2-8ºC
Vapor Density
~3 (vs air)
Safety Info
Safety Statements
S16-S26-S33-S36/37/39-S43-S45-S61-S62
WGK Germany
1
Risk Statements
R11; R15; R17; R34; R51/53; R65; R66; R67
RIDADR
UN 3394
Hazard Class
4.3
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 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Tert-Butyllithium

1.2 Other means of identification

Product number -
Other names lithium, 2-methylpropane

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

Pyrophoric liquids, Category 1

Substances and mixtures, which in contact with water, emit flammable gases, Category 1

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H250 Catches fire spontaneously if exposed to air

H260 In contact with water releases flammable gases which may ignite spontaneously

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P222 Do not allow contact with air.

P231+P232 Handle and store contents under inert gas/.... Protect from moisture.

P233 Keep container tightly closed.

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

P223 Do not allow contact with water.

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

P264 Wash ... thoroughly after handling.

Response

P302+P334 IF ON SKIN: Immerse in cool water [or wrap in wet bandages].

P370+P378 In case of fire: Use ... to extinguish.

P302+P335+P334 IF ON SKIN: Brush off loose particles from skin. Immerse in cool water [or wrap in wet bandages].

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

P402+P404 Store in a dry place. Store in a closed container.

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
Tert-Butyllithium Tert-Butyllithium 594-19-4 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 Clear solid/liquid mixture
Colour no data available
Odour no data available
Melting point/ freezing point no data available
Boiling point or initial boiling point and boiling range 36-40ºC
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point -49ºC
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 0.652
Relative vapour density ~3 (vs air)
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: UN3394 IMDG: UN3394 IATA: UN3394

14.2 UN Proper Shipping Name

ADR/RID: ORGANOMETALLIC SUBSTANCE, LIQUID, PYROPHORIC, WATER- REACTIVE
IMDG: ORGANOMETALLIC SUBSTANCE, LIQUID, PYROPHORIC, WATER- REACTIVE
IATA: ORGANOMETALLIC SUBSTANCE, LIQUID, PYROPHORIC, WATER- REACTIVE

14.3 Transport hazard class(es)

ADR/RID: 4.2 IMDG: 4.2 IATA: 4.2

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

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
Tert-Butyllithium Tert-Butyllithium 594-19-4 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 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) 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 14, 2017
Revision Date Aug 14, 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: Tert.-butyllithium 1.5m solution in pentane Material Safety Data Sheet
Synonym:
CAS: 594-19-4
Section 1 - Chemical Product   MSDS Name:Tert.-butyllithium 1.5m solution in pentane Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
594-19-4 tert-Butyllithium, 1.5M solution in pe 209-831-5
Hazard Symbols: F C
Risk Phrases: 11 14/15 17 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Reacts violently with water liberating extremely flammable gases. Spontaneously flammable in air. Causes burns.Water-reactive.Corrosive.Toxic.Air sensitive.
Potential Health Effects
Eye:
Causes severe eye burns. May cause irreversible eye injury.
Skin:
Harmful if absorbed through the skin. Contact with liquid is corrosive and causes severe burns and ulceration.
Ingestion:
Aspiration hazard. May cause central nervous system depression, kidney damage, and liver damage. Causes digestive tract burns with immediate pain, swelling of the throat, convulsions, and possible coma. Aspiration of material into the lungs may cause chemical pneumonitis, which may be fatal. May cause corrosion and permanent tissue destruction of the esophagus and digestive tract.
Inhalation:
Inhalation of high concentrations may cause central nervous system effects characterized by nausea, headache, dizziness, unconsciousness and coma. Irritation may lead to chemical pneumonitis and pulmonary edema. Causes severe irritation of upper respiratory tract with coughing, burns, breathing difficulty, and possible coma. May cause effects similar to those described for ingestion.
Chronic:
Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion.

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.
Skin:
Get medical aid 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. Never give anything by mouth to an unconscious person. Possible aspiration hazard. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
Evacuate area and fight fire from a safe distance. Containers can build up pressure if exposed to heat and/or fire. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Vapors can travel to a source of ignition and flash back. Combustion generates toxic fumes. Material is easily ignited if allowed to dry.
Extremely flammable. Material will readily ignite at room temperature. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Can form explosive mixtures at temperatures above the flashpoint.
Extinguishing Media:
Do NOT use water directly on fire. Water may be ineffective. Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Store and handle protected from air. Do not use if the material has evaporated to dryness. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Keep container closed to prevent drying out. Keep under a nitrogen blanket. Keep from contact with oxidizing materials. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep away from water. Keep away from organic halogens. Refrigerator/flammables.
Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 594-19-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
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: Solid/Liquid Mixture
Color: Clear
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 36 - 40 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: 285 deg C ( 545.00 deg F)
Flash Point: 30 deg C ( 86.00 deg F)
Explosion Limits, lower: 1.40 vol %
Explosion Limits, upper: 8.30 vol %
Decomposition Temperature: 30 deg C
Solubility in water: reacts
Specific Gravity/Density: .6600g/cm3
Molecular Formula: C4H9Li
Molecular Weight: 64.06

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, exposure to air, contact with water, organic materials, strong oxidants, exposure to moist air or water, dehydrating agents.
Incompatibilities with Other Materials:
Lithium is incompatible with acetonitrile + sulfur dioxide, bromine pentafluoride, bromobenzene, carbon + lithium tetrachloroaluminate + sulfunyl chloride, carbon + sulfunyl chloride, chlorine tri or pentafluoride, diazomethane, diborane, ethylene, halocarbbons, halogens, hydrogen, mercury, metal chlorides + nitrogen, metal oxides and chalcogenides, metals, nitric acid, nitryly fluoride, non-metal oxides, platinum, pol(1,1-difluoroethylene-hexafluoropropylene) (viton), sodium carbonate, sulfur, sulfinyl chloride, sulfur dioxide, trifluoromethyl hypofluorite, halocarbons, halogens, iron(II) sulfide, manganese telluride, arsenic, beryllium, maleic anhydride, carbides, carbon dioxide, + water, chlorine, chromium, chromium trichloride, cobalt alloys, nickel alloys, nitrogen, organic matter, oxygen, phosphorus, rubber, silicates, sodium nitrite, tantalum (V) oxide, vanadium, zirconium tetrachloride, iodoform, nitrogen + metal chlorides, fluorine, magnesium perchlorate. Butyl lithium above 20% in air can ignite spontaneously if the humidity exceeds 70%.
Concentrations above 25% are pyrophoric at any humidity. Hexane is incompatible with dinitrogen tetraoxide.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, lithium hydroxide, oxides of lithium.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 594-19-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyllithium, 1.5M solution in pentane - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Do not empty into drains.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: LITHIUM ALKYLS
Hazard Class: 4.2 (4.3)
UN Number: 2445
Packing Group:
IMO
Shipping Name: LITHIUM ALKYLS
Hazard Class: 4.2 (4.3)
UN Number: 2445
Packing Group: I
RID/ADR
Shipping Name: LITHIUM ALKYLS
Hazard Class: 4.2
UN Number: 2445
Packing group: I

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 17 Spontaneously flammable in air.
R 34 Causes burns.
Safety Phrases:
S 6A Keep under nitrogen.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
S 43B In case of fire, use fire-fighting equipment
on basis of sodium chloride, sodium bicarbonate (never
use water).
WGK (Water Danger/Protection)
CAS# 594-19-4: No information available.
Canada
CAS# 594-19-4 is listed on Canada's NDSL List.
CAS# 594-19-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 594-19-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : Predict
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Synthesis Route

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