2-Bromo-5-nitrobenzotrifluoride

C₇H₃BrF₃NO₂CAS 367-67-9270.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃BrF₃NO₂
Molar mass: 270.01 g/mol
Exact mass: 268.9299 Da
Melting point: 46–48 °C
Boiling point: 87–88 °C (at NaN Torr)
logP: 3.38Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

367-67-9

SMILES

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

InChIKey

SXEQQBBOAMHOID-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF3NO2/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

5 names

Benzene, 1-bromo-4-nitro-2-(trifluoromethyl)-
Toluene, 2-bromo-α,α,α-trifluoro-5-nitro-
1-Bromo-4-nitro-2-(trifluoromethyl)benzene
4-Bromo-3-trifluoromethylnitrobenzene
2-Trifluoromethyl-4-nitrobromobenzene

Work with 2-Bromo-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

2-Fluoro-5-nitrobenzotrifluoride400-74-865 % similar 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine121-01-763 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-763 % similar 2-Methyl-5-nitrobenzotrifluoride89976-12-563 % similar 2-Fluoro-4-nitrobenzotrifluoride69411-67-261 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-559 % similar 2-Chloro-4-nitrobenzotrifluoride151504-80-259 % similar 2-Methyl-4-nitrobenzotrifluoride1960-52-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-nitro-1-(trifluoromethyl)benzene251115-21-6 5-Bromo-2-nitrobenzotrifluoride344-38-7 4-Bromo-3-nitrobenzotrifluoride349-03-1 3-Bromo-5-nitrobenzotrifluoride630125-49-4 3-Bromo-4-trifluoromethylnitrobenzene875238-74-7

Elsewhere

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