3-Chlorodiphenylamine
Properties
- Molecular formula
- C12H10ClN
- Molar mass
- 203.67 g/mol
- Exact mass
- 203.0502 Da
- Melting point
- 112 °C
- Boiling point
- 338 °C
- logP
- 4.08Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
101-17-7SMILES
Clc1cccc(Nc2ccccc2)c1InChIKey
OHHIBZKYXJDQEU-UHFFFAOYSA-NInChI
InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzenamine, 3-chloro-N-phenyl-
- Diphenylamine, 3-chloro-
- 3-Chloro-N-phenylbenzenamine
- Phenyl(m-chlorophenyl)amine
- N-(m-Chlorophenyl)aniline
- N-(3-Chlorophenyl)aniline
- m-Chlorodiphenylamine
- N-(3-Chlorophenyl)-N-phenylamine
- 3-Chloro-N-phenylaniline
Work with 3-Chlorodiphenylamine
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
Diphenylamine122-39-457 % similar
3-Methyldiphenylamine1205-64-756 % similar
3-Chloro-N-methylaniline7006-52-256 % similar
N,N′-Diphenyl-p-phenylenediamine74-31-755 % similar
3-Hydroxydiphenylamine101-18-854 % similar
2,6-Dichloro-N-phenylbenzenamine15307-93-452 % similar
3-Chlorophenylhydrazine hydrochloride2312-23-452 % similar
Chlorobenzene108-90-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds