2-Bromo-6-chloro-4-(trifluoromethyl)aniline

C7H4BrClF3NCAS 109919-26-8274.47 g/mol

Open in Covalent MOL file
ClH2NBrFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H4BrClF3N
Molar mass
274.47 g/mol
Exact mass
272.9168 Da
logP
3.70Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
109919-26-8
SMILES
C1=C(C=C(C(=C1Cl)N)Br)C(F)(F)F
InChIKey
OVJCOPVKCCJSFE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

Weigh it out

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

Work with 2-Bromo-6-chloro-4-(trifluoromethyl)aniline

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

2,6-Dichloro-4-trifluoromethylaniline24279-39-872 % similar 4-Amino-3,5-dibromobenzotrifluoride72678-19-472 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-264 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-164 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-356 % similar 2-Bromo-6-chloro-4-fluorobenzenamine201849-14-156 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-056 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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