2-Bromo-6-nitrotoluene

C₇H₆BrNO₂CAS 55289-35-5216.03 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: 38 °C
Boiling point: 142–147 °C (at 30 Torr)
logP: 2.67Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin12.2% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

Aggregated from 49 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

55289-35-5

SMILES

Cc1c(Br)cccc1[N+](=O)[O-]

InChIKey

LYTNSGFSAXWBCA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c1-5-6(8)3-2-4-7(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, 1-bromo-2-methyl-3-nitro-
Toluene, 2-bromo-6-nitro-
1-Bromo-2-methyl-3-nitrobenzene
6-Bromo-2-nitrotoluene
2-Methyl-1-bromo-3-nitrobenzene
2-Nitro-6-bromotoluene

Work with 2-Bromo-6-nitrotoluene

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

2,6-Dinitrotoluene606-20-275 % similar 3-Nitro-o-xylene83-41-068 % similar 2-Methyl-3-nitroaniline603-83-864 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-164 % similar 1-Bromo-2-nitrobenzene577-19-563 % similar 2-Methyl-3-nitrophenol5460-31-162 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-862 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-461 % 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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