2-Amino-3-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
Danger
- H301 Toxic if swallowed25% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H311 Toxic in contact with skin25% of notifiers
- H312 Harmful in contact with skin75% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H331 Toxic if inhaled25% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 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
115661-37-5SMILES
C1=CC(=C(C(=C1)F)N)C#NInChIKey
UNISSOLHERSZOW-UHFFFAOYSA-NInChI
InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Amino-3-fluorobenzonitrile
Similar compounds
2-Fluorobenzonitrile394-47-863 % similar
2,3-Difluorobenzonitrile21524-39-060 % similar
3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar
2-Amino-3-bromobenzonitrile114344-60-458 % similar
2-Amino-3-chlorobenzonitrile53312-77-958 % similar
2-Chloro-3-fluorobenzonitrile874781-08-558 % similar
2,6-Difluoroaniline5509-65-958 % similar
3-Fluoro-2-methylbenzonitrile185147-06-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.