Benzyl chloroformate

C₈H₇ClO₂CAS 501-53-1170.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Density: 1.2166 g/mL (at 20 °C)
Melting point: 0 °C
Boiling point: 152 °C
Flash point: 80 °C (closed cup)
logP: 2.56Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, P501

Identifiers

CAS number

501-53-1

SMILES

O=C(Cl)OCc1ccccc1

InChIKey

HSDAJNMJOMSNEV-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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

Names and synonyms

12 names

Benzyl chlorocarbonate
Phenylmethyl chloroformate
NSC 83466
Benzyl chloridocarbonate
Benzyloxyformyl chloride
Carbonochloridic acid, phenylmethyl ester
Formic acid, chloro-, benzyl ester
(Benzyloxy)carbonyl chloride
Carbobenzoxy chloride
Carbobenzyloxy chloride
Chloroformic acid benzyl ester
Benzyl carbonochloridate

Reactions

CARBOBENZOXY CHLORIDE AND DERIVATIVES (Formic acid, chloro-, benzyl ester)product

Work with Benzyl chloroformate

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

Bis(phenylmethyl) carbonate3459-92-561 % similar Dibenzyl oxalate7579-36-461 % similar Dibenzyl succinate103-43-557 % similar Dibenzyl malonate15014-25-257 % similar Dibenzyl pyrocarbonate31139-36-357 % similar Phenylmethyl 2-chloroacetate140-18-156 % similar 4-Nitrobenzyl chloroformate4457-32-356 % similar Benzyl phenylacetate102-16-955 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 2-Chloro-3-methylbenzoic acid15068-35-6 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia