tert-Butylphosphonic dichloride

C₄H₉Cl₂OPCAS 4707-95-3174.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₉Cl₂OP
Molar mass: 174.99 g/mol
Exact mass: 173.9768 Da
logP: 3.46Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

4707-95-3

SMILES

CC(C)(C)P(=O)(Cl)Cl

InChIKey

OQUGNSMOWJIYMO-UHFFFAOYSA-N

InChI

InChI=1S/C4H9Cl2OP/c1-4(2,3)8(5,6)7/h1-3H3

Weigh it out

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

Work with tert-Butylphosphonic dichloride

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook