2,4-Dichloro-5-nitrobenzotrifluoride

C₇H₂Cl₂F₃NO₂CAS 400-70-4259.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₂Cl₂F₃NO₂
Molar mass: 259.99 g/mol
Exact mass: 258.9415 Da
Melting point: 53–54 °C
logP: 3.92Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed13% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

400-70-4

SMILES

O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Cl

InChIKey

VLVNHMVSVDVAOA-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl2F3NO2/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12/h1-2H

Weigh it out

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

Names and synonyms

7 names

Benzene, 1,5-dichloro-2-nitro-4-(trifluoromethyl)-
Toluene, 2,4-dichloro-α,α,α-trifluoro-5-nitro-
1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene
2,4-Dichloro-5-nitro-1-(trifluoromethyl)benzene
3-Nitro-4,6-dichlorobenzotrifluoride
2,4-Dichloro-5-(trifluoromethyl)nitrobenzene
3-Trifluoromethyl-4,6-dichloronitrobenzene

Work with 2,4-Dichloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloro-2-nitro-4-(trifluoromethyl)aniline35375-74-773 % similar 1,3-Dichloro-4,6-dinitrobenzene3698-83-765 % similar 2,4,5-Trichloronitrobenzene89-69-063 % similar 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-561 % similar 2-Chloro-4-nitrobenzotrifluoride151504-80-261 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-961 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-761 % similar 2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dichloro-2-nitrobenzotrifluoride50594-31-5

Elsewhere

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