1-(Bromodifluoromethoxy)-4-nitrobenzene

C₇H₄BrF₂NO₃CAS 81932-04-9268.01 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitro

Properties

Molecular formula: C₇H₄BrF₂NO₃
Molar mass: 268.01 g/mol
Exact mass: 266.9343 Da
Melting point: 48 °C
logP: 2.92Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

81932-04-9

SMILES

O=[N+]([O-])c1ccc(OC(F)(F)Br)cc1

InChIKey

JPNHCEIQOASHOX-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

Weigh it out

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Names and synonyms

1 names

Benzene, 1-(bromodifluoromethoxy)-4-nitro-

Work with 1-(Bromodifluoromethoxy)-4-nitrobenzene

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

4-(Trifluoromethoxy)nitrobenzene713-65-568 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-355 % similar Trifluoroacetic acid p-nitrophenyl ester658-78-651 % similar 4-Nitroanisole100-17-450 % similar 1,4-Dinitrobenzene100-25-450 % similar 1-(Difluoromethoxy)-4-nitrobenzene1544-86-150 % similar 4-Nitrobenzotrifluoride402-54-050 % similar 1-Nitro-4-phenoxybenzene620-88-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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