Butyllithium 分子结构式
HCID178418339

Butyllithium

C4H9Li64.1 g/mol

IDENTITY

结构与身份

标准SMILES
[Li]CCCC
InChIKey
MZRVEZGGRBJDDB-UHFFFAOYSA-N
分子式
C4H9Li
平均分子量
64.1 g/mol
单同位素质量
64.08642872

COMPUTED

结构计算性质

已同步
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
1
重原子
5
形式电荷
0
复杂度
4

PROPERTIES

实验与物化性质

来源:PubChem
Density

0.765 @25 °C

Melting Point

-76 °C

Physical Description

Wet Solid; Liquid

Available 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]

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 16.1% (55 of 341) of reports.

Danger

H250 (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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: 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/14573

Lithium, butyl-, 15% in hexane: HSNO Approval: HSR001268 Approved with controls

The 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 Information

IMAP assessments - Lithium, butyl-: Environment tier I assessment;IMAP assessments - Lithium, butyl-: Human health tier I assessment

Hazards Summary

An irritant; Solid and solution highly flammable; Ignites in moist air; [Hawley] May cause burns; May ignite upon exposure to air; Reacts with water evolving heat and flammable gases; [CAMEO] Pyrophoric; Gives off flammable gas in contact with water; Corrosive to skin and eyes; [eChemPortal: ERMA] Liberates extremely flammable gases on contact with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See Lithium.

Hazard Classes and Categories

Pyr. 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 2;Pyrophoric liquids - Category 1;Substances and mixtures which, in contact with water, emit flamm - Category 1;Reproductive toxicity - Category 1A

Flammable liquids - Category 2;Pyrophoric liquids - Category 1;Substances and mixtures which, in contact with water, emit flamm - Category 1;Skin corrosion/irritation - Category 1;Serious eye damage/eye irritation - Category 1;Reproductive toxicity - Category 1A, Additional category: Effects on or via lactation;Specific 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 Information

CSL00127

Perfluorethyllithium + Phosphorus Trichloride,Phosphorus + N-BUTYLLITHIUM + CHLOROPENTAFLUOROETHANE

Avoid temperatures below -90 C

Substitution

Several 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

SAFETY

安全与防护

来源:PubChem
Protective Action Criteria (PAC)

0.18 [mg/m3]

4.5 [mg/m3]

27 [mg/m3]

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Neurotoxin - Other CNS neurotoxin;Nephrotoxin - 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.

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 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/14573

Lithium, butyl-, 15% in hexane: HSNO Approval: HSR001268 Approved with controls

The 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.)

USES

用途与制造

来源:PubChem
Uses

Used to make isoprene and butadiene polymers and lithium hydride; Also used as a rocket fuel component and metalating agent; [Hawley]

U.S. Production

2023: 1,000,000 - <2,500,000 lb;2022: 1,000,000 - <2,500,000 lb;2021: 1,000,000 - <2,500,000 lb;2020: 1,000,000 - <2,500,000 lb

Industry Uses

Diluent;Intermediate;Processing aids not otherwise specified

General Manufacturing Information

All Other Chemical Product and Preparation Manufacturing;Plastics Material and Resin Manufacturing;All Other Basic Organic Chemical Manufacturing;Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;Pharmaceutical and Medicine Manufacturing;Rubber Product Manufacturing;Electrical Equipment, Appliance, and Component Manufacturing

Lithium, butyl-: ACTIVE

ALIASES

名称与别名

共 13 条
bu-LiRefChem:571855DTXCID206821203-698-709W9A6B8ZC109-72-8butyl lithiumButyllithiumCHEBI:51469DTXSID1026821Lithium, butyl-n-BuLiN-Butyllithium

REACTIONS

参与反应

34,074
HRID 798 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723411

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HRID 813 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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HRID 814 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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HRID 816 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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HRID 818 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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HRID 823 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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HRID 825 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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HRID 827 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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