4-Chloro-3,5-dinitrobenzotrifluoride

C₇H₂ClF₃N₂O₄CAS 393-75-9270.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₂ClF₃N₂O₄
Molar mass: 270.55 g/mol
Exact mass: 269.9655 Da
Melting point: 57 °C
Flash point: 126 °C
logP: 3.18Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H302+H332 Harmful if swallowed or if inhaled21.2% of notifiers
H302 Harmful if swallowed100% of notifiers
H310 Fatal in contact with skin77.3% of notifiers
H315 Causes skin irritation69.7% of notifiers
H317 May cause an allergic skin reaction22% of notifiers
H319 Causes serious eye irritation47.7% of notifiers
H332 Harmful if inhaled22% of notifiers
H335 May cause respiratory irritation46.2% of notifiers
H400 Very toxic to aquatic life41.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects64.4% of notifiers

Aggregated from 132 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

393-75-9

SMILES

O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl

InChIKey

HFHAVERNVFNSHL-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

Weigh it out

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

Names and synonyms

13 names · show all

Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-
Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-
2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene
2,6-Dinitro-4-(trifluoromethyl)chlorobenzene
3,5-Dinitro-4-chlorobenzotrifluoride
4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene
4-(Trifluoromethyl)-2,6-dinitrochlorobenzene
1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene
4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene
1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene
Chloralin
NSC 88274
3,5-Dinitro-4-chlorotrifluoromethylbenzene

Work with 4-Chloro-3,5-dinitrobenzotrifluoride

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

3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-067 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-165 % similar 4-Amino-3,5-dinitrobenzotrifluoride445-66-965 % similar 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-564 % similar 4-Amino-3-chloro-5-nitrobenzotrifluoride57729-79-063 % similar 2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-662 % similar 2-Chloro-3-nitro-5-(trifluoromethyl)pyridine72587-15-661 % similar 3,4-Difluoro-5-nitrobenzotrifluoride101646-01-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3,5-dinitrobenzotrifluoride392-95-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook