2-Chloro-5-nitrobenzotrifluoride

C₇H₃ClF₃NO₂CAS 777-37-7225.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃ClF₃NO₂
Molar mass: 225.55 g/mol
Exact mass: 224.9804 Da
Melting point: 22 °C
Boiling point: 232 °C
logP: 3.27Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed89.4% of notifiers
H312 Harmful in contact with skin10.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled12.8% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 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

777-37-7

SMILES

O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1

InChIKey

HQROXDLWVGFPDE-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

11 names

Benzene, 1-chloro-4-nitro-2-(trifluoromethyl)-
Toluene, 2-chloro-α,α,α-trifluoro-5-nitro-
1-Chloro-4-nitro-2-(trifluoromethyl)benzene
4-Chloro-3-(trifluoromethyl)nitrobenzene
2-(Trifluoromethyl)-4-nitrochlorobenzene
3-(Trifluoromethyl)-4-chloronitrobenzene
2-Chloro-α,α,α-trifluoro-5-nitrotoluene
2-Chloro-5-nitro-1-trifluoromethylbenzene
2-Chloro-5-nitrotrifluoromethylbenzene
NSC 9467
1-Chloro-2-trifluoromethyl-4-nitrobenzene

Work with 2-Chloro-5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-5-nitrobenzotrifluoride400-74-865 % similar 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine121-01-763 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-963 % similar 2-Methyl-5-nitrobenzotrifluoride89976-12-563 % similar Flusulfamide106917-52-663 % 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

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-4-nitrobenzotrifluoride151504-80-2 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

Elsewhere

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