4-Cyano-3-nitrobenzoic acid
Properties
- Molecular formula
- C8H4N2O4
- Molar mass
- 192.13 g/mol
- Exact mass
- 192.0171 Da
- logP
- 1.16Crippen estimate
- Polar surface area
- 104.2 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
153775-42-9SMILES
C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C#NInChIKey
JVPRJKPSKHSUDO-UHFFFAOYSA-NInChI
InChI=1S/C8H4N2O4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Cyano-3-nitrobenzoic acid
Similar compounds
3,4-Dinitrobenzoic acid528-45-067 % similar
Nitroterephthalic acid610-29-763 % similar
4-Hydroxy-3-nitrobenzoic acid616-82-062 % similar
4-Bromo-3-nitrobenzoic acid6319-40-062 % similar
4-Chloro-3-nitrobenzoic acid96-99-162 % similar
3-Bromo-4-nitrobenzoic acid101420-81-960 % similar
4-Amino-3-nitrobenzoic acid1588-83-660 % similar
4-Iodo-3-nitrobenzoic acid35674-27-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.