2,6-Dichloro-4-(trifluoromethoxy)benzenamine

C7H4Cl2F3NOCAS 99479-66-0246.01 g/mol

Open in Covalent MOL file
H2NClOFFFCl
Alkyl halideAryl halideEtherPrimary amine

Properties

Molecular formula
C7H4Cl2F3NO
Molar mass
246.01 g/mol
Exact mass
244.9622 Da
logP
3.47Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
99479-66-0
SMILES
Nc1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIKey
FKISQWQHZULEEG-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2F3NO/c8-4-1-3(14-7(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.

Names and synonyms

4 names
  • Benzenamine, 2,6-dichloro-4-(trifluoromethoxy)-
  • 2,6-Dichloro-4-trifluoromethoxyaniline
  • [2,6-Dichloro-4-(trifluoromethoxy)phenyl]amine
  • 2,6-Dichloro-4-(trifluoromethoxy)aniline

Work with 2,6-Dichloro-4-(trifluoromethoxy)benzenamine

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-Chloro-4-(trifluoromethoxy)aniline69695-61-061 % similar 2,6-Dibromo-4-trifluoromethoxyaniline88149-49-956 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-852 % similar 2,6-Dichloro-4-methoxyaniline6480-66-652 % similar 2,6-Dichelorotrifluoromethoxybenzene97608-49-648 % similar 3-Chloro-4-(trifluoromethoxy)aniline64628-73-547 % similar 3-(Trifluoromethoxy)aniline1535-73-547 % similar 2,6-Dichloro-4-fluorobenzenamine344-19-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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