2-Nitrobenzyl alcohol

C₇H₇NO₃CAS 612-25-9153.14 g/mol

Open in Covalent MOL file

Alcohol Nitro

Properties

Molecular formula: C₇H₇NO₃
Molar mass: 153.14 g/mol
Exact mass: 153.0426 Da
Melting point: 74 °C
Boiling point: 270 °C
logP: 1.09Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

612-25-9

SMILES

O=[N+]([O-])c1ccccc1CO

InChIKey

BWRBVBFLFQKBPT-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

7 names

Benzenemethanol, 2-nitro-
Benzyl alcohol, o-nitro-
2-Nitrobenzenemethanol
o-Nitrobenzyl alcohol
o-(Hydroxymethyl)nitrobenzene
NSC 66512
(2-Nitrophenyl)methanol

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Dinitrodibenzyl16968-19-771 % similar 2-Nitrobenzeneethanol15121-84-371 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-369 % similar Alpha-Bromo-2-nitrotoluene3958-60-965 % similar 1-Ethyl-2-nitrobenzene612-22-665 % similar 2-Nitrobenzyl chloride612-23-765 % similar 1,2-Dinitrobenzene528-29-062 % similar 2-Nitrobenzeneacetonitrile610-66-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0

Elsewhere

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