2-Naphthaleneacetyl chloride

C₁₂H₉ClOCAS 37859-25-9204.65 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₁₂H₉ClO
Molar mass: 204.65 g/mol
Exact mass: 204.0342 Da
Melting point: 181.5–183.5 °C
Boiling point: 156–158 °C (at 10 Torr)
logP: 3.15Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

37859-25-9

SMILES

O=C(Cl)Cc1ccc2ccccc2c1

InChIKey

QEJGMKHQXSZCOS-UHFFFAOYSA-N

InChI

InChI=1S/C12H9ClO/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2

Weigh it out

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

Names and synonyms

5 names

β-Naphthylacetyl chloride
2-(2-Naphthyl)acetyl chloride
2-Naphthylacetyl chloride
Naphthalen-2-ylacetyl chloride
2-(Naphthalen-2-yl)acetyl chloride

Work with 2-Naphthaleneacetyl 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

Phenylacetyl chloride103-80-060 % similar 2-Naphthaleneacetic acid581-96-459 % similar 4-Chlorobenzeneacetyl chloride25026-34-052 % similar 2-(Chloromethyl)naphthalene2506-41-450 % similar 4-Bromophenylacetyl chloride37859-24-850 % similar 2-(4-Fluorophenyl)acetyl chloride459-04-150 % similar 2-Naphthaleneethanol1485-07-047 % similar 4-Methoxybenzeneacetyl chloride4693-91-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chlorodiphenyl ether2689-07-8 Chlorophenoxybenzene55398-86-2 4-Chlorophenyl phenyl ether7005-72-3 2-Chloro-4-phenylphenol92-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook