3,4-Diaminobenzonitrile
Properties
- Molecular formula
- C7H7N3
- Molar mass
- 133.15 g/mol
- Exact mass
- 133.0640 Da
- Melting point
- 147.5 °C
- logP
- 0.72Crippen estimate
- Polar surface area
- 75.8 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed95.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
17626-40-3SMILES
N#Cc1ccc(N)c(N)c1InChIKey
VWLLPPSBBHDXHK-UHFFFAOYSA-NInChI
InChI=1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzonitrile, 3,4-diamino-
- 4-Cyano-1,2-diaminobenzene
- 2-Amino-4-cyanoaniline
- 4-Cyano-o-phenylenediamine
- 1,2-Diamino-4-cyanobenzene
- 4-Cyano-1,2-benzenediamine
- 4-Cyano-1,2-phenylenediamine
Work with 3,4-Diaminobenzonitrile
Similar compounds
4-Amino-3-chlorobenzonitrile21803-75-864 % similar
4-Amino-3-bromobenzonitrile50397-74-564 % similar
3-Amino-4-chlorobenzonitrile53312-79-164 % similar
3-Amino-4-methylbenzonitrile60710-80-764 % similar
4-Amino-3-fluorobenzonitrile63069-50-164 % similar
4-Amino-3-methylbenzonitrile78881-21-764 % similar
3-Amino-4-fluorobenzonitrile859855-53-164 % similar
4-Amino-3-ethylbenzonitrile170230-87-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.