o-(Hydroxymethyl)benzamide

HCID 99176

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 33832-98-3
Standard SMILES: NC(=O)c1ccccc1CO
InChIKey: RULWBFLPUAFFGY-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: o-(Hydroxymethyl)benzamide
IUPAC: 2-(hydroxymethyl)benzamide
English name: o-(hydroxymethyl)benzamide
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

o-(Hydroxymethyl)benzamideEINECS 251-692-8DTXSID00187481NSC 191834RefChem:855149DTXCID10109972251-692-82-(hydroxymethyl)benzamide33832-98-32-hydroxymethylbenzamideNSC-191834hydroxymethylbenzamide

Show more names

Benzamide, 2-(hydroxymethyl)-Alogliptin Related Compound 49Alogliptin Benzoate Impurity1645Benzamide, 2-(hydroxymethyl)- (9CI)

NSC191834o-hydroxymethylbenzamideKD3EGS6MXB2-carbamoyl-benzyl alcoholo-Toluamide, alpha-hydroxy-ortho-Hydroxymethyl benzamideSCHEMBL619877SCHEMBL873231

Database identifiers

CAS: 33832-98-3
PubChem CID: 99176
DTXSID: DTXSID00187481
ChEMBL: CHEMBL4570478
UNII: KD3EGS6MXB
EC Number: 251-692-8
Nikkaji: J308.545G

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 140 · 140-150 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
Boiling point: 346.1 · 346.1±25.0 °C(Predicted)
Density: 1.239 · 1.239±0.06 g/cm3(Predicted)
pka: 14.11 · 14.11±0.10(Predicted)
FDA UNII: 3 EGS6MXB · KD3EGS6MXB
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H335-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H335-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P