4-Amino-2,5-difluorobenzonitrile
Properties
- Molecular formula
- C7H4F2N2
- Molar mass
- 154.12 g/mol
- Exact mass
- 154.0343 Da
- logP
- 1.42Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed87.5% of notifiers
- H302 Harmful if swallowed12.5% of notifiers
- H312+H332 Harmful in contact with skin or if inhaled12.5% of notifiers
- H312 Harmful in contact with skin87.5% of notifiers
- H315 Causes skin irritation87.5% of notifiers
- H319 Causes serious eye irritation87.5% of notifiers
- H332 Harmful if inhaled87.5% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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
112279-61-5SMILES
C1=C(C(=CC(=C1F)N)F)C#NInChIKey
LAPGMTOHOQPDGI-UHFFFAOYSA-NInChI
InChI=1S/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Amino-2,5-difluorobenzonitrile
Similar compounds
2,4,5-Trifluorobenzonitrile98349-22-565 % similar
2,5-Difluoro-4-methylbenzonitrile1003708-66-455 % similar
4-Bromo-2,5-difluorobenzonitrile133541-45-455 % similar
4-Chloro-2,5-difluorobenzonitrile135748-35-555 % similar
2,4,5-Trifluoroaniline367-34-054 % similar
4-Amino-2-fluorobenzonitrile53312-80-453 % similar
5-Amino-2-fluorobenzonitrile53312-81-553 % similar
4-Amino-3-fluorobenzonitrile63069-50-153 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.