2-Amino-5-cyanobenzotrifluoride

C8H5F3N2CAS 327-74-2186.14 g/mol

NFFFNH2
Alkyl halideNitrilePrimary amine

Properties

Molecular formula
C8H5F3N2
Molar mass
186.14 g/mol
Exact mass
186.0405 Da
logP
2.16Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 7 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
327-74-2
SMILES
C1=CC(=C(C=C1C#N)C(F)(F)F)N
InChIKey
MWLZJOBGDXBMBP-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,13H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 4-Amino-3-(trifluoromethyl)benzonitrile

Work with 2-Amino-5-cyanobenzotrifluoride

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere