Ammonium benzoate

C₇H₉NO₂CAS 1863-63-4139.15 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₉NO₂
Molar mass: 139.15 g/mol
Exact mass: 139.0633 Da
Density: 1.26 g/mL
Melting point: 198 °C (decomposes)
logP: 1.55Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed79.8% of notifiers
H315 Causes skin irritation33.4% of notifiers
H319 Causes serious eye irritation41% of notifiers
H335 May cause respiratory irritation32.5% of notifiers

Aggregated from 634 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1863-63-4

SMILES

N.O=C(O)c1ccccc1

InChIKey

VWSRWGFGAAKTQG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, ammonium salt (1:1)
Benzoic acid, ammonium salt
Vulnoc AB
Vulnoc ABS

Work with Ammonium benzoate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzoic acid65-85-0Free acid Denatonium3734-33-6Salt Sodium benzoate532-32-1Salt Calcium benzoate2090-05-3Salt Potassium benzoate582-25-2Salt Emamectin benzoate137512-74-4Salt Emamectin benzoate155569-91-8Salt Rizatriptan benzoate145202-66-0Salt Mercury benzoate583-15-3Salt Silver benzoate532-31-0Salt Ferric benzoate14534-87-3Salt Zinc benzoate553-72-0Salt

Similar compounds

4-(1,2,2-Triphenyl vinyl)benzoic acid197153-87-072 % similar 4-Benzoylbenzoic acid611-95-069 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-265 % similar Ammonium phthalate523-24-064 % similar Terephthalic acid100-21-064 % similar 4-Phenoxybenzoic acid2215-77-261 % similar Isophthalic acid121-91-560 % similar p-Phenylazobenzoic acid1562-93-259 % similar

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

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2 2-Amino-4-methoxyphenol20734-76-3

Elsewhere

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