Ethyl 4-chloromethylbenzoate

C₁₀H₁₁ClO₂CAS 1201-90-7198.65 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₀H₁₁ClO₂
Molar mass: 198.65 g/mol
Exact mass: 198.0448 Da
logP: 2.60Crippen 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 damage100% of notifiers

Aggregated from the 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

1201-90-7

SMILES

CCOC(=O)C1=CC=C(C=C1)CCl

InChIKey

JTTXRFNOFFGPFI-UHFFFAOYSA-N

InChI

InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 4-(Chloromethyl)benzoate

Work with Ethyl 4-chloromethylbenzoate

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

Diethyl terephthalate636-09-972 % similar Ethyl 4-(bromomethyl)benzoate26496-94-666 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-666 % similar Methyl 4-(chloromethyl)benzoate34040-64-765 % similar Ethyl 4-fluorobenzoate451-46-765 % similar Ethyl 4-chlorobenzoate7335-27-565 % similar Ethyl 4-methylbenzoate94-08-662 % similar Ethyl 4-(dimethylamino)benzoate10287-53-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Chlorophenylacetic acid ethyl ester14062-24-9 3-(4-Methoxyphenyl)propionyl chloride15893-42-2 3-Chloro-1-(4-methoxyphenyl)propan-1-one35999-20-3 Ethyl α-chlorobenzeneacetate4773-33-5 Ethyl m-(chloromethyl)benzoate54589-54-7 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one62581-82-2 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-6

Elsewhere

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