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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178418339Generated: October 23, 2026

Butyllithium

https://huagongshe.com/en/chemical/178418339

Butyllithium molecular structure

Identifiers & Physical Properties

CAS No.109-72-8
Molecular formulaC4H9Li
Average molar mass64.1 g/mol
Monoisotopic mass64.08642872 g/mol
SMILES[Li]CCCC
InChIKeyMZRVEZGGRBJDDB-UHFFFAOYSA-N
PubChem CID53627823

Chemical & Physical Properties

Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds1
Heavy atoms5
Formal charge0
Complexity4
Density0.765 @25 °C
Melting point-76 °C
Physical DescriptionWet SolidLiquidAvailable in solution of C5 to C7 hydrocarbons[Hawley] In cyclohexane solution: Water-white to pale yellow liquid with a petroleum-like odor[CAMEO] In n-hexane solution: Yellow liquid[MSDSonline]

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 16.1% (55 of 341) of reports.DangerH250 (83.9%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]H260 (83%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (83.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (10.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (70.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P210, P222, P223, P231, P231+P232, P233, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 341 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 55 of 341 reports by companies.There are 13 notifications provided by 286 of 341 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatory informationChemical: Lithium, butyl-Lithium, butyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Lithium, butyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14573Lithium, butyl-, 15% in hexane: HSNO Approval: HSR001268 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other safety informationIMAP assessments - Lithium, butyl-: Environment tier I assessmentIMAP assessments - Lithium, butyl-: Human health tier I assessment
Hazards summaryAn irritantSolid and solution highly flammableIgnites in moist air[Hawley] May cause burnsMay ignite upon exposure to airReacts with water evolving heat and flammable gases[CAMEO] PyrophoricGives off flammable gas in contact with waterCorrosive to skin and eyes[eChemPortal: ERMA] Liberates extremely flammable gases on contact with waterA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] See Lithium.
Hazard Classes and CategoriesPyr. Liq. 1 (83.9%)Water-react. 1 (83%)Acute Tox. 4 (10.6%)Skin Corr. 1 (83.9%)Skin Sens. 1 (10.6%)Eye Dam. 1 (70.4%)Flammable liquids - Category 2Pyrophoric liquids - Category 1Substances and mixtures which, in contact with water, emit flamm - Category 1Reproductive toxicity - Category 1ASkin corrosion/irritation - Category 1Serious eye damage/eye irritation - Category 1Reproductive toxicity - Category 1A, Additional category: Effects on or via lactationSpecific target organ toxicity - Single exposure - Category 1 (nervous system, respiratory organs), Category 3 (narcotic effects)Specific target organ toxicity - Repeated exposure - Category 1 (nervous system, respiratory organs)Flammable agents - 4th degree, Reactive agents - 2nd degree
CSL Reaction InformationCSL00127Perfluorethyllithium + Phosphorus Trichloride,Phosphorus + N-BUTYLLITHIUM + CHLOROPENTAFLUOROETHANEAvoid temperatures below -90 CSubstitutionSeveral times in our laboratory, we have experienced a violent decomposition of the ethereal C2F5Cl/n-BuLi solution after the addition of just a few drops of (R)nPCl3=n. In each of these cases, the metal-halogen exchange temperature was maintained below -90 C. We believe that this problem is due to a buildup of starting reagents at low temperatures.C&EN
Protective Action Criteria (PAC)0.18 [mg/m3]4.5 [mg/m3]27 [mg/m3]
Adverse effectsNeurotoxin - Other CNS neurotoxinNephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting.Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.