4-Vinylbenzyl chloride

C₉H₉ClCAS 1592-20-7152.62 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₉H₉Cl
Molar mass: 152.62 g/mol
Exact mass: 152.0393 Da
Boiling point: 77.5–79 °C (at 2 Torr)
logP: 3.07Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin74.1% of notifiers
H312 Harmful in contact with skin25.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, P501

Identifiers

CAS number

1592-20-7

SMILES

C=Cc1ccc(CCl)cc1

InChIKey

ZRZHXNCATOYMJH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-(chloromethyl)-4-ethenyl-
Styrene, p-(chloromethyl)-
1-(Chloromethyl)-4-ethenylbenzene
p-Vinylbenzyl chloride
p-(Chloromethyl)styrene
4-(Chloromethyl)styrene
CMS 14
1-(Chloromethyl)-4-vinylbenzene

Work with 4-Vinylbenzyl 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

P,P'-Divinyl-1,2-diphenylethane48174-52-365 % similar Alpha,alpha'-Dichloro-p-xylene623-25-657 % similar (4-Vinylphenyl)methanol1074-61-956 % similar 4-Vinylbenzylamine (stabilized with MEHQ)50325-49-056 % similar 4-Chlorostyrene1073-67-250 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-350 % similar (Dimethylaminomethyl)styrene2245-52-550 % similar 4-Fluorostyrene405-99-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-4-(1-methylethenyl)benzene1712-70-5 Cinnamyl chloride21087-29-6 Cinnamyl chloride2687-12-9

Elsewhere

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