Tri-tert-butylphosphine

C₁₂H₂₇PCAS 13716-12-6202.32 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₁₂H₂₇P
Molar mass: 202.32 g/mol
Exact mass: 202.1850 Da
Melting point: 19–23 °C
logP: 4.86Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H250 Catches fire spontaneously if exposed to air98.2% of notifiers
H314 Causes severe skin burns and eye damage98.2% of notifiers
H318 Causes serious eye damage17.5% of notifiers

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P222, P231, P233, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P405, P501

Identifiers

CAS number

13716-12-6

SMILES

CC(C)(C)P(C(C)(C)C)C(C)(C)C

InChIKey

BWHDROKFUHTORW-UHFFFAOYSA-N

InChI

InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3

Weigh it out

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

Names and synonyms

4 names

Phosphine, tris(1,1-dimethylethyl)-
Phosphine, tri-tert-butyl-
Tris(1,1-dimethylethyl)phosphine
Tris(tert-butyl)phosphine

Work with Tri-tert-butylphosphine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tri-tert-butylphosphine tetrafluoroborate131274-22-1Salt

Similar compounds

Bis(tri-tert-butylphosphine)palladium(0)53199-31-875 % similar Palladium (I) tri-tert-butylphosphine bromide185812-86-660 % similar Di-tert-butylmethylphosphine6002-40-043 % similar Di-tert-butylchlorophosphine13716-10-440 % similar tert-Butyldichlorophosphine25979-07-140 % similar Bis(di-tert-butylphosphino)methane87648-10-040 % similar 1,3-Bis(di-tert-butylphosphino)propane121115-33-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tributylphosphine998-40-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook