2-Chlorobenzyl chloride
Properties
- Molecular formula
- C7H6Cl2
- Molar mass
- 161.02 g/mol
- Exact mass
- 159.9847 Da
- Density
- 1.078 g/mL (at 18 °C)
- Melting point
- −17 °C
- Boiling point
- 217 °C
- Flash point
- 91 °C
- Water solubility
- 100 mg/L (25 °C)
- logP
- 3.08Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled75.1% of notifiers
- H302 Harmful if swallowed78.8% of notifiers
- H312 Harmful in contact with skin78.3% of notifiers
- H314 Causes severe skin burns and eye damage23.3% of notifiers
- H315 Causes skin irritation75.7% of notifiers
- H317 May cause an allergic skin reaction40.7% of notifiers
- H319 Causes serious eye irritation75.7% of notifiers
- H330 Fatal if inhaled20.6% of notifiers
- H332 Harmful if inhaled76.7% of notifiers
- H335 May cause respiratory irritation75.7% of notifiers
- H400 Very toxic to aquatic life78.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects78.8% of notifiers
Aggregated from 189 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
611-19-8SMILES
ClCc1ccccc1ClInChIKey
BASMANVIUSSIIM-UHFFFAOYSA-NInChI
InChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 1-chloro-2-(chloromethyl)-
- Toluene, o,α-dichloro-
- Toluene, α,2-dichloro-
- 1-Chloro-2-(chloromethyl)benzene
- o-Chlorobenzyl chloride
- α,o-Dichlorotoluene
- o,α-Dichlorotoluene
- α,2-Dichlorotoluene
- NSC 8446
Work with 2-Chlorobenzyl 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
2,3-Dichlorobenzyl chloride3290-01-567 % similar
α,α′-Dichloro-o-xylene612-12-465 % similar
2,5-Dichlorobenzyl chloride2745-49-558 % similar
2,4-Dichlorobenzyl chloride94-99-558 % similar
2,6-Dichlorobenzyl chloride2014-83-757 % similar
2-Chlorobenzyl alcohol17849-38-656 % similar
2-Chlorobenzyl mercaptan39718-00-856 % similar
2-Chlorobenzyl bromide611-17-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds