2-Chloro-4-nitrobenzotrifluoride

C7H3ClF3NO2CAS 151504-80-2225.55 g/mol

Open in Covalent MOL file
N+OO−ClFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3ClF3NO2
Molar mass
225.55 g/mol
Exact mass
224.9804 Da
logP
3.27Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
151504-80-2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(F)(F)F
InChIKey
MOTWHSMEZCFDOD-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF3NO2/c8-6-3-4(12(13)14)1-2-5(6)7(9,10)11/h1-3H

Weigh it out

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

Work with 2-Chloro-4-nitrobenzotrifluoride

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-Fluoro-4-nitrobenzotrifluoride69411-67-265 % similar 2-Methyl-4-nitrobenzotrifluoride1960-52-763 % similar 2-Amino-4-nitrobenzotrifluoride393-49-763 % similar 3-Bromo-4-trifluoromethylnitrobenzene875238-74-763 % similar 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-963 % similar 1,2-Dichloro-4-nitrobenzene99-54-762 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-461 % similar 2-Fluoro-5-nitrobenzotrifluoride400-74-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-nitrobenzotrifluoride118-83-2 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-5 2-Chloro-6-trifluoromethylnicotinic acid280566-45-2 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-1 3-Chloro-5-nitrobenzotrifluoride401-93-4 3-Chloro-4-nitrobenzotrifluoride402-11-9 2-Chloro-5-(trifluoromethyl)nicotinic acid505084-59-3 2-Chloro-5-nitrobenzotrifluoride777-37-7

Elsewhere

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