n-Butyllithium

C₄H₉LiCAS 109-72-864.06 g/mol

Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.

Properties

Molecular formula: C₄H₉Li
Molar mass: 64.06 g/mol
Exact mass: 64.0864 Da
Density: 0.77 g/mL
Melting point: 109–111 °C
logP: 1.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H250 Catches fire spontaneously if exposed to air83.9% of notifiers
H260 In contact with water releases flammable gases which may ignite spontaneously83% of notifiers
H302 Harmful if swallowed10.6% of notifiers
H314 Causes severe skin burns and eye damage83.9% of notifiers
H317 May cause an allergic skin reaction10.6% of notifiers
H318 Causes serious eye damage70.4% of notifiers

Aggregated from 341 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

109-72-8

SMILES

[CH2]CCC.[Li]

InChIKey

MZRVEZGGRBJDDB-UHFFFAOYSA-N

InChI

InChI=1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

Lithium, butyl-
Butyllithium
1-Butyllithium

Reactions

Wittig olefination: methyltriphenylphosphonium bromide + benzaldehyde → styrenereagent

Work with n-Butyllithium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexyllithium21369-64-267 % similar Tetrabutyltin1461-25-263 % similar Tributyltin hydride688-73-363 % similar Bis(tributyltin)813-19-463 % similar Tributyltin chloride1461-22-953 % similar Bromotributylstannane1461-23-053 % similar Tributyltin fluoride1983-10-453 % similar Tributyltin oxide56-35-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyllithium594-19-4 sec-Butyllithium598-30-1 Isobutyllithium920-36-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia