m-Nitrobenzoyl azide

C₇H₄N₄O₃CAS 3532-31-8192.13 g/mol

Open in Covalent MOL file

Azide Nitro

Properties

Molecular formula: C₇H₄N₄O₃
Molar mass: 192.13 g/mol
Exact mass: 192.0283 Da
logP: 2.05Crippen estimate
Polar surface area: 109.0 Å²
H-bond donors / acceptors: 0 / 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 38 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

3532-31-8

SMILES

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

InChIKey

MBUKWVQKGHOBTG-UHFFFAOYSA-N

InChI

InChI=1S/C7H4N4O3/c8-10-9-7(12)5-2-1-3-6(4-5)11(13)14/h1-4H

Weigh it out

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Names and synonyms

6 names

3-Nitrobenzoyl azide
m-Nitrobenzazide
Benzoyl azide, 3-nitro-
m-Nitrobenzoylazide
3-Nitro-benzoesaure-azid
Azido-(3-nitrophenyl)-methanone

Reactions

m-NITROBENZAZIDE (Benzoyl azide, m-nitro-)product

Work with m-Nitrobenzoyl azide

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

3,3′-Dinitrobenzophenone21222-05-959 % similar 3-Nitrobenzoyl bromide13277-62-856 % similar Sodium m-nitrobenzoate827-95-256 % similar 3′-Nitroacetophenone121-89-155 % similar 3-Nitrobenzoyl chloride121-90-455 % similar 3-Nitrobenzoic acid121-92-655 % similar 3-Nitrobenzophenone2243-80-355 % similar 1-(3-Nitrophenyl)-1-propanone17408-16-155 % similar

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

Elsewhere

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