1,2-Dichlorobenzene
Properties
- Molecular formula
- C6H4Cl2
- Molar mass
- 147.00 g/mol
- Exact mass
- 145.9690 Da
- Density
- 1.3059 g/mL (at 20 °C)
- Melting point
- −16.7 °C
- Boiling point
- 180.1 °C
- Flash point
- 68 °C (closed cup)
- Water solubility
- 156 mg/L (25 °C)
- logP
- 2.99Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract 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, index 602-034-00-7), via PubChem.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-50-1SMILES
Clc1ccccc1ClInChIKey
RFFLAFLAYFXFSW-UHFFFAOYSA-NInChI
InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 1,2-dichloro-
- Benzene, o-dichloro-
- Cloroben
- o-Dichlorobenzene
- Dowtherm E
- Dilatin DB
- NSC 60644
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 95-50-1. Each row opens the sheet with its composition and PDF.
Work with 1,2-Dichlorobenzene
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,2,3-Trichlorobenzene87-61-660 % similar
1-Bromo-2-chlorobenzene694-80-459 % similar
1-Chloro-2-fluorobenzene348-51-656 % similar
1-Chloro-2-iodobenzene615-41-856 % similar
2-Chlorobenzenethiol6320-03-256 % similar
1-Chloronaphthalene90-13-156 % similar
2-Chlorotoluene95-49-856 % similar
2-Chloroaniline95-51-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.