2-Chloro-3-(trifluoromethyl)benzylamine

C8H7ClF3NCAS 39226-96-5209.60 g/mol

Open in Covalent MOL file
FFFClNH2
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C8H7ClF3N
Molar mass
209.60 g/mol
Exact mass
209.0219 Da
logP
2.82Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
39226-96-5
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)Cl)CN
InChIKey
GRFVQNWTQVWNBY-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2

Weigh it out

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

Work with 2-Chloro-3-(trifluoromethyl)benzylamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)benzylamine3048-01-967 % similar 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-064 % similar 2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-664 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-855 % similar 2,3-Dichlorobenzylamine39226-95-453 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-253 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-652 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-(trifluoromethyl)benzyl amine361393-93-3 4-Chloro-3-(trifluoromethyl)benzylamine62039-92-3 4-Chloro-2-(trifluoromethyl)benzylamine771583-81-4

Elsewhere

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