2-Amino-5-chlorobenzonitrile
Properties
- Molecular formula
- C7H5ClN2
- Molar mass
- 152.58 g/mol
- Exact mass
- 152.0141 Da
- Melting point
- 97 °C
- Boiling point
- 133.5 °C
- logP
- 1.79Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed14% of notifiers
- H302 Harmful if swallowed82% of notifiers
- H311 Toxic in contact with skin12% of notifiers
- H312 Harmful in contact with skin82% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled92% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5922-60-1SMILES
N#Cc1cc(Cl)ccc1NInChIKey
QYRDWARBHMCOAG-UHFFFAOYSA-NInChI
InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzonitrile, 2-amino-5-chloro-
- Anthranilonitrile, 5-chloro-
- 2-Cyano-4-chloroaniline
- 6-Amino-3-chlorobenzonitrile
- 4-Chloro-2-cyanoaniline
- 5-Chloroanthranilonitrile
- 2-Amino-5-chlorobenzenecarbonitrile
- 5-Chloro-2-aminobenzonitrile
- 1-Cyano-2-amino-5-chlorobenzene
Work with 2-Amino-5-chlorobenzonitrile
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-Amino-4-chlorobenzonitrile38487-86-472 % similar
2,5-Diaminobenzonitrile14346-13-560 % similar
2,5-Dichlorobenzonitrile21663-61-660 % similar
5-Chloro-2-hydroxybenzonitrile13589-72-556 % similar
2-Amino-5-bromobenzonitrile39263-32-656 % similar
5-Chloro-2-methylbenzonitrile50712-70-456 % similar
5-Chloro-2-fluorobenzonitrile57381-34-756 % similar
2-Amino-5-methylbenzonitrile5925-93-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Chloro-3-pyridineacetonitrile101012-32-2
6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4
4-Chloro (1H)indazole13096-96-3
5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4
6-Chloromethyl-2-cyanopyridine135450-23-6
4-Amino-2-chlorobenzonitrile20925-27-3
4-Amino-3-chlorobenzonitrile21803-75-8
2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9