1,3-Bis(chloromethyl)benzene

C₈H₈Cl₂CAS 626-16-4175.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈Cl₂
Molar mass: 175.05 g/mol
Exact mass: 174.0003 Da
Melting point: 34.2 °C
Boiling point: 251.5 °C
logP: 3.16Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H330 Fatal if inhaled95.6% of notifiers
H335 May cause respiratory irritation88.9% of notifiers
H400 Very toxic to aquatic life11.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

626-16-4

SMILES

ClCc1cccc(CCl)c1

InChIKey

GRJWOKACBGZOKT-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

9 names

Benzene, 1,3-bis(chloromethyl)-
m-Xylene, α,α′-dichloro-
m-Xylylene dichloride
α,α′-Dichloro-m-xylene
m-Bis(chloromethyl)benzene
m-Xylene dichloride
NSC 96971
3-(Chloromethyl)benzyl chloride
α′,α′-Dichloro-m-xylene

Work with 1,3-Bis(chloromethyl)benzene

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

m,Alpha-Dichlorotoluene620-20-271 % similar 3-Fluorobenzyl chloride456-42-868 % similar 3-Methylbenzyl chloride620-19-965 % similar 1-Bromo-3-(chloromethyl)benzene932-77-465 % similar Benzyl chloride100-44-763 % similar 3-Phenoxybenzyl chloride53874-66-158 % similar 3-(Chloromethyl)benzonitrile64407-07-458 % similar 3-(Trifluoromethyl)benzyl chloride705-29-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichloro-p-xylene1124-05-6 2-Chloro-4-(chloromethyl)-1-methylbenzene2719-40-6 α,α′-Dichloro-o-xylene612-12-4 Alpha,alpha'-Dichloro-p-xylene623-25-6

Elsewhere

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