2-Chloro-4-nitrobenzonitrile
Properties
- Molecular formula
- C7H3ClN2O2
- Molar mass
- 182.56 g/mol
- Exact mass
- 181.9883 Da
- logP
- 2.12Crippen estimate
- Polar surface area
- 66.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
28163-00-0SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C#NInChIKey
ZIGQFRQZYVQQDR-UHFFFAOYSA-NInChI
InChI=1S/C7H3ClN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Chloro-4-nitrobenzonitrile
Similar compounds
4-Nitrophthalonitrile31643-49-971 % similar
2-Fluoro-4-nitrobenzonitrile34667-88-463 % similar
2-Hydroxy-4-nitrobenzonitrile39835-14-863 % similar
2-Amino-3-chloro-5-nitrobenzonitrile20352-84-563 % similar
1,2-Dichloro-4-nitrobenzene99-54-762 % similar
1-Bromo-2-chloro-4-nitrobenzene29682-39-159 % similar
2-Bromo-5-nitrobenzonitrile134604-07-259 % similar
2-Fluoro-5-nitrobenzonitrile17417-09-359 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.