Phenylboron dichloride

C₆H₅BCl₂CAS 873-51-8158.82 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅BCl₂
Molar mass: 158.82 g/mol
Exact mass: 157.9861 Da
logP: 1.86Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

873-51-8

SMILES

B(C1=CC=CC=C1)(Cl)Cl

InChIKey

NCQDQONETMHUMY-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

1 names

Borane, dichlorophenyl-

Work with Phenylboron 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

Similar compounds

Triphenylborane960-71-450 % similar Triphenylboroxin3262-89-343 % similar Phenylboronic acid98-80-643 % similar Phenyldichloroarsine696-28-636 % similar Chlorobenzene108-90-735 % similar Triphenylamine603-34-935 % similar Phenylboronic acid pinacol ester24388-23-633 % similar Biphenyl92-52-433 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook