3-Amino-4-fluorobenzonitrile
Properties
- Molecular formula
- C7H5FN2
- Molar mass
- 136.13 g/mol
- Exact mass
- 136.0437 Da
- logP
- 1.28Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 5 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
859855-53-1SMILES
C1=CC(=C(C=C1C#N)N)FInChIKey
BHMZMZOMQYFFQL-UHFFFAOYSA-NInChI
InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Amino-4-fluorobenzonitrile
Similar compounds
4-Amino-3-fluorobenzonitrile63069-50-172 % similar
3,4-Diaminobenzonitrile17626-40-364 % similar
3,4-Difluorobenzonitrile64248-62-064 % similar
3-Chloro-4-fluorobenzonitrile117482-84-556 % similar
4-Fluoro-3-methylbenzonitrile185147-08-456 % similar
3-Amino-4-chlorobenzonitrile53312-79-156 % similar
3-Amino-4-methylbenzonitrile60710-80-756 % similar
3-Bromo-4-fluorobenzonitrile79630-23-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.