Diphenylacetyl chloride

C₁₄H₁₁ClOCAS 1871-76-7230.69 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₁ClO
Molar mass: 230.69 g/mol
Exact mass: 230.0498 Da
Melting point: 56.5 °C
Boiling point: 175–176 °C (at 17 Torr)
logP: 3.58Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation85.1% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

1871-76-7

SMILES

O=C(Cl)C(c1ccccc1)c1ccccc1

InChIKey

MSYLETHDEIJMAF-UHFFFAOYSA-N

InChI

InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

Weigh it out

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

Names and synonyms

7 names

Benzeneacetyl chloride, α-phenyl-
Acetyl chloride, diphenyl-
α-Phenylbenzeneacetyl chloride
Diphenylacetic acid chloride
α,α-Diphenylacetyl chloride
2,2-Diphenylacetyl chloride
NSC 120906

Work with Diphenylacetyl chloride

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

α-Chlorobenzeneacetyl chloride2912-62-165 % similar α-Ethylbenzeneacetyl chloride36854-57-655 % similar D-(-)-2-Amino-2-phenylacetyl chloride hydrochloride39878-87-055 % similar O-Formyl-D-mandeloyl chloride29169-64-053 % similar Diphenylacetic acid117-34-050 % similar 1-(Chloroformyl)benzyl acetate1638-63-750 % similar 1,1-Diphenylacetone781-35-150 % similar 2-Phenoxypropanoyl chloride122-35-047 % similar

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

Same formula

1-(4-Chlorophenyl)-2-phenylethanone1889-71-0 Desyl chloride447-31-4 4-Phenylphenacyl chloride635-84-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook