2,4-Dihydroxybenzamide

HCID 76601

Notes Reactions

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Basic information

CAS: 3147-45-3
Standard SMILES: NC(=O)c1ccc(O)cc1O
InChIKey: IIUJCQYKTGNRHH-UHFFFAOYSA-N
Molecular formula: C7H7NO3
Average molar mass: 153.14 g/mol
Monoisotopic mass: 153.04259308

Names & identifiers

Preferred name: 2,4-Dihydroxybenzamide
IUPAC: 2,4-dihydroxybenzamide
English name: 2,4-Dihydroxybenzamide
Molecular formula: C7H7NO3
Molecular weight: 153.14

Names & synonyms

2,4-DihydroxybenzamideBenzamide, 2,4-dihydroxy-beta-Resorcylamide1,3,4-Resorcylic acid amideNSC 60728DTXSID8062868EINECS 221-567-2IIUJCQYKTGNRHH-UHFFFAOYSA-RefChem:82455DTXCID7038369221-567-2InChI=1/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)

Show more names

p-hydroxysaliamideβ-ResorcylamideB-RESORCYL AMIDEP-Hydroxysalicylamide2-Hydroxysalicylamide2,4-dihydroxy-benzamid4-HYDROXY SALICYLAMIDEβ-Resorcylic acid amide2,4-Dihydroxybenzamide>

3147-45-32,4-dihydroxy-benzamideMFCD00064913NSC60728NSC-607281,4-Resorcylic acid amide2,4-bis(oxidanyl)benzamide2,4-dihydroxybenzoic acid amide

Database identifiers

CAS: 3147-45-3
PubChem CID: 76601
DTXSID: DTXSID8062868
UNII: V2QA7KU4DZ
EC Number: 221-567-2
Nikkaji: J76.344F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

LogP-0.15

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 228 °C · 228 °C
Boiling point: 455.8 · 455.8±15.0 °C(Predicted)
Density: 1.458 · 1.458±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 8.15 · 8.15±0.10(Predicted)
color: White to Light red to Green
InChI: InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)
InChIKey: IIUJCQYKTGNRHH-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=C(O)C=C1O
CAS DataBase Reference: 3147 · 3147-45-3(CAS DataBase Reference)
EPA Substance Registry System: 2 · Benzamide, 2,4-dihydroxy- (3147-45-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
TSCA: TSCA listed
HS Code: 2924.29 · 2924.29.7790
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 05-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23143

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Safety data

tsca: TSCA listed
hs_code: 2924.29.7790
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313