4-Azidobenzoic acid

C₇H₅N₃O₂CAS 6427-66-3163.14 g/mol

Open in Covalent MOL file

Azide Carboxylic acid

Properties

Molecular formula: C₇H₅N₃O₂
Molar mass: 163.14 g/mol
Exact mass: 163.0382 Da
Melting point: 180 °C
logP: 2.33Crippen estimate
Polar surface area: 86.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H241 Heating may cause a fire or explosion92.9% of notifiers
H315 Causes skin irritation92.9% of notifiers
H319 Causes serious eye irritation92.9% of notifiers
H335 May cause respiratory irritation92.9% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P380+P375[+P378], P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

6427-66-3

SMILES

[N-]=[N+]=Nc1ccc(C(=O)O)cc1

InChIKey

PQXPAFTXDVNANI-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 4-azido-
Benzoic acid, p-azido-
p-Azidobenzoic acid
4-Carboxyphenyl azide
NSC 80932

Work with 4-Azidobenzoic acid

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

4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-460 % similar Terephthalic acid100-21-056 % similar p-Phenylazobenzoic acid1562-93-253 % similar Acedoben556-08-151 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-650 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-450 % similar 4-Isothiocyanatobenzoic acid2131-62-650 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 2-Cyano-4-nitroaniline17420-30-3 3-Nitro-7-azaindole23709-47-9 Benzotriazole-5-carboxylic acid23814-12-2 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6

Elsewhere

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