4-Bromo-2-nitrobenzyl alcohol

C₇H₆BrNO₃CAS 22996-19-6232.03 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Nitro

Properties

Molecular formula: C₇H₆BrNO₃
Molar mass: 232.03 g/mol
Exact mass: 230.9531 Da
logP: 1.85Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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 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, 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

22996-19-6

SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])CO

InChIKey

VEVBVFGGMFKIBA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

1 names

(4-Bromo-2-nitrophenyl)methanol

Work with 4-Bromo-2-nitrobenzyl alcohol

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-Bromo-2-nitrobenzyl bromide82420-34-669 % similar 4-Chloro-2-nitrobenzenemethanol22996-18-563 % similar 4-Bromo-1,2-dinitrobenzene610-38-862 % similar 2-Nitrobenzyl alcohol612-25-960 % similar 4-Bromo-2-nitrophenol7693-52-959 % similar 2,5-Dibromonitrobenzene3460-18-258 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-855 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 2-Bromo-4-methyl-6-nitrophenol20039-91-2 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 Methyl 5-bromo-6-hydroxynicotinate381247-99-0 1-Bromo-3-methoxy-2-nitrobenzene500298-30-6

Elsewhere

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