3-Nitrobenzamide

C₇H₆N₂O₃CAS 645-09-0166.14 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₇H₆N₂O₃
Molar mass: 166.14 g/mol
Exact mass: 166.0378 Da
Melting point: 142.7 °C
Boiling point: 312.5 °C
Water solubility: < 100 mg/L (17.8 °C)
logP: 1.48Crippen estimate
Polar surface area: 87.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% 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

645-09-0

SMILES

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

InChIKey

KWAYEPXDGHYGRW-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)

Weigh it out

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

Names and synonyms

4 names

Benzamide, 3-nitro-
Benzamide, m-nitro-
m-Nitrobenzamide
NSC 37327

Work with 3-Nitrobenzamide

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-Dinitrobenzamide121-81-373 % similar 3-Nitrobenzoic acid121-92-665 % similar 3,3′-Dinitrobenzophenone21222-05-961 % similar 4-Nitro-1,2-benzenedicarboxamide13138-53-961 % similar 4-Chloro-3-nitrobenzamide16588-06-060 % similar Aklomide3011-89-059 % similar 3-Nitrobenzohydrazide618-94-059 % similar 3-Nitrobenzoyl bromide13277-62-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitrobenzaldehyde oxime1129-37-9 3-Nitrobenzaldoxime3431-62-7 2-Nitrobenzamide610-15-1 4-Nitrobenzamide619-80-7 2-Nitrobenzaldehyde oxime6635-41-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook