2-Phenoxypropanoyl chloride

C₉H₉ClO₂CAS 122-35-0184.62 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₉H₉ClO₂
Molar mass: 184.62 g/mol
Exact mass: 184.0291 Da
Density: 1.1865 g/mL (at 20 °C)
Boiling point: 147 °C
logP: 2.22Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage88.9% of notifiers

Aggregated from 45 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

122-35-0

SMILES

CC(Oc1ccccc1)C(=O)Cl

InChIKey

BDSSZTXPZHIYHM-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3

Weigh it out

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

Names and synonyms

7 names

Propanoyl chloride, 2-phenoxy-
Propionyl chloride, 2-phenoxy-
2-Phenoxypropionic acid chloride
α-Phenoxypropionyl chloride
2-Phenoxypropionyl chloride
NSC 9825
2-Phenoxypropionoyl chloride

Work with 2-Phenoxypropanoyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dl-2-phenoxypropionic acid940-31-861 % similar Diphenylacetyl chloride1871-76-747 % similar α-Chlorobenzeneacetyl chloride2912-62-145 % similar (S)-(-)-2-Acetoxypropionyl chloride36394-75-944 % similar (±)-2-(3-Chlorophenoxy)propionic acid101-10-044 % similar O-Acetylmandeloyl chloride1638-63-744 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-944 % similar α-Ethylbenzeneacetyl chloride36854-57-643 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-5 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-0 Methyl 4-(chloromethyl)benzoate34040-64-7

Elsewhere

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