2-Bromo-4-nitro(trifluoromethoxy)benzene

C₇H₃BrF₃NO₃CAS 200958-40-3286.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Nitro

Properties

Molecular formula: C₇H₃BrF₃NO₃
Molar mass: 286.00 g/mol
Exact mass: 284.9248 Da
logP: 3.26Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled28.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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

200958-40-3

SMILES

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

InChIKey

LVTAFGFYMLODQP-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H

Weigh it out

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

Work with 2-Bromo-4-nitro(trifluoromethoxy)benzene

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

2,4-Dinitro(trifluoromethoxy)benzene655-07-269 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-463 % similar 3-Bromo-4-trifluoromethylnitrobenzene875238-74-759 % similar 4-(Trifluoromethoxy)nitrobenzene713-65-556 % similar 2-Bromo-1-fluoro-4-nitrobenzene701-45-155 % similar 1-Nitro-3-(trifluoromethoxy)benzene2995-45-155 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-955 % similar 2-Bromo-4-nitrobenzenamine13296-94-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitro-4-(trifluoromethoxy)bromobenzene95668-20-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook