4-Bromo-3-nitrobenzotrifluoride

C₇H₃BrF₃NO₂CAS 349-03-1270.01 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
logP: 3.38Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

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 irritation37.5% of notifiers

Aggregated from 8 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

349-03-1

SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])Br

InChIKey

PESPBNYBZVIGRO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

Weigh it out

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

Work with 4-Bromo-3-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-Bromophenyl 2-nitro-4-(trifluoromethyl)phenyl ether2069-14-967 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-767 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-265 % similar 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-563 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-663 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-763 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-163 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-361 % 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 2-Bromo-5-nitrobenzotrifluoride367-67-9 3-Bromo-5-nitrobenzotrifluoride630125-49-4 3-Bromo-4-trifluoromethylnitrobenzene875238-74-7

Elsewhere

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