3-Nitrobenzyl alcohol

C₇H₇NO₃CAS 619-25-0153.14 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: 30.5 °C
Boiling point: 175–180 °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 swallowed28.6% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled28.6% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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

619-25-0

SMILES

O=[N+]([O-])c1cccc(CO)c1

InChIKey

CWNPOQFCIIFQDM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzenemethanol, 3-nitro-
Benzyl alcohol, m-nitro-
3-Nitrobenzenemethanol
m-Nitrobenzyl alcohol
(3-Nitrophenyl)methanol
NSC 5388
m-Nitrophenylmethanol
m-(Hydroxymethyl)nitrobenzene

Work with 3-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

3,5-Dinitrobenzenemethanol71022-43-068 % similar 3-Nitrobenzyl bromide3958-57-465 % similar Alpha-Chloro-m-nitrotoluene619-23-865 % similar (3-Nitrobenzyl)methylamine19499-61-764 % similar 4-Nitrobenzyl alcohol619-73-863 % similar 1,3-Dinitrobenzene99-65-062 % similar 3-Nitrophenylacetic acid1877-73-261 % similar 3-Nitrobenzylamine monohydrochloride26177-43-559 % 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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