4-Bromo-1-methyl-2-nitrobenzene

C₇H₆BrNO₂CAS 60956-26-5216.03 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆BrNO₂
Molar mass: 216.03 g/mol
Exact mass: 214.9582 Da
Melting point: 46–47 °C
Boiling point: 256 °C
logP: 2.67Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.6% of notifiers
H312 Harmful in contact with skin14.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

60956-26-5

SMILES

Cc1ccc(Br)cc1[N+](=O)[O-]

InChIKey

KZNXALJXBRSMFL-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-bromo-1-methyl-2-nitro-
Toluene, 4-bromo-2-nitro-
4-Bromo-2-nitrotoluene
1-Bromo-4-methyl-3-nitrobenzene
2-Nitro-4-bromotoluene
1-Methyl-2-nitro-4-bromobenzene

Work with 4-Bromo-1-methyl-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-1,2-dinitrobenzene610-38-868 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-865 % similar 4-Methyl-3-nitrophenol2042-14-065 % similar 2,4-Dinitrotoluene121-14-264 % similar 2,5-Dibromonitrobenzene3460-18-264 % similar 1,4-Dimethyl-2-nitrobenzene89-58-764 % similar 4-Iodo-2-nitrotoluene41252-97-562 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7

Elsewhere

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