4-Ethylbenzyl chloride

C₉H₁₁ClCAS 1467-05-6154.64 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₉H₁₁Cl
Molar mass: 154.64 g/mol
Exact mass: 154.0549 Da
Boiling point: 92–93 °C
logP: 2.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

1467-05-6

SMILES

CCc1ccc(CCl)cc1

InChIKey

DUBCVXSYZVTCOC-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Cl/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7H2,1H3

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-(chloromethyl)-4-ethyl-
Toluene, α-chloro-p-ethyl-
1-(Chloromethyl)-4-ethylbenzene
p-Chloromethylethylbenzene
p-Ethylbenzyl chloride
α-Chloro-p-ethyltoluene
1-Chloromethyl-4-ethylbenzene
4-(Chloromethyl)-1-ethylbenzene

Work with 4-Ethylbenzyl 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

1,4-Diethylbenzene105-05-567 % similar Alpha,alpha'-Dichloro-p-xylene623-25-667 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-357 % similar 4-Methylbenzyl chloride104-82-557 % similar 1-Ethyl-4-fluorobenzene459-47-257 % similar 1-Chloro-4-ethylbenzene622-98-057 % similar 4-Chlorobenzyl chloride104-83-652 % similar 4-Fluorobenzyl chloride352-11-452 % similar

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

Same formula

3,4-Dimethylbenzyl chloride102-46-5 1-Chloro-3-phenylpropane104-52-9 2-Chloromesitylene1667-04-5 3,5-Dimethylbenzyl chloride2745-54-2 2,6-Dimethylbenzyl chloride5402-60-8 2,5-Dimethylbenzyl chloride824-45-3 2,4-Dimethylbenzyl chloride824-55-5 (1-Chloro-1-methylethyl)benzene934-53-2

Elsewhere

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