2,6-Dichlorobenzonitrile
Properties
- Molecular formula
- C7H3Cl2N
- Molar mass
- 172.01 g/mol
- Exact mass
- 170.9643 Da
- Density
- 1.3 g/mL
- Melting point
- 144–145 °C
- Boiling point
- 270 °C
- Water solubility
- 14.6 mg/L (20 °C)
- logP
- 2.87Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H312 Harmful in contact with skinAcute toxicity, dermal
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 608-015-00-X), via PubChem.
Precautionary statements
P273, P280, P302+P352, P317, P321, P362+P364, P391, P501
Identifiers
CAS number
1194-65-6SMILES
N#Cc1c(Cl)cccc1ClInChIKey
YOYAIZYFCNQIRF-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Benzonitrile, 2,6-dichloro-
- H 133
- Nia 5996
- Casoron 133
- Casoron
- Dichlobenil
- Niagara 5996
- DBN
- DBN (pesticide)
- 2,6-Dichlorocyanobenzene
- Casoron G
- Surfassol
- NSC 521490
- Casoron 4G
- Casoron CS
Work with 2,6-Dichlorobenzonitrile
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-Chloro-6-methylbenzonitrile6575-09-368 % similar
2-Amino-6-chlorobenzonitrile6575-11-768 % similar
2-Chloro-6-fluorobenzonitrile668-45-168 % similar
2-Chloro-6-hydroxybenzonitrile89999-90-668 % similar
2,4,6-Trichlorobenzonitrile6575-05-965 % similar
2-Chlorobenzonitrile873-32-561 % similar
4-Bromo-2,6-dichlorobenzonitrile99835-27-560 % similar
6-Chloro-2-nitrobenzonitrile6575-07-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.