Nitrosobenzene

C₆H₅NOCAS 586-96-9107.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅NO
Molar mass: 107.11 g/mol
Exact mass: 107.0371 Da
Melting point: 68.5 °C
Boiling point: 58 °C
logP: 2.08Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin97.9% of notifiers
H332 Harmful if inhaled97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

586-96-9

SMILES

O=Nc1ccccc1

InChIKey

NLRKCXQQSUWLCH-UHFFFAOYSA-N

InChI

InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

2 names

Benzene, nitroso-
NSC 66479

Reactions

NITROSOBENZENE (Benzene, nitroso-)product

Work with Nitrosobenzene

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-Nitrosodiphenylamine156-10-561 % similar Azobenzene103-33-350 % similar N,N-Dimethyl-4-nitrosoaniline138-89-644 % similar N-Sulfinylbenzenamine1122-83-443 % similar 2-Nitrosotoluene611-23-440 % similar N,N-Diethyl-4-nitrosoaniline120-22-939 % similar N,N′-Diphenylmethanimidamide622-15-138 % similar Phenyl isothiocyanate103-72-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyridine-2-carbaldehyde1121-60-4 Pyridine-3-carbaldehyde500-22-1 Pyridine-4-carbaldehyde872-85-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia