2,6-Dihydroxybenzamide

HCID 76602CAS 3147-50-0

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Basic information

Standard SMILES: NC(=O)c1c(O)cccc1O
InChIKey: WFIWHFWPQQSJDD-UHFFFAOYSA-N
Molecular formula: C7H7NO3
Average molar mass: 153.14 g/mol
Monoisotopic mass: 153.04259308

Names & identifiers

Preferred name: 2,6-Dihydroxybenzamide
IUPAC: 2,6-dihydroxybenzamide
English name: 2,6-DIHYDROXYBENZAMIDE
Molecular formula: C7H7NO3
Molecular weight: 153.14

Names & synonyms

2,6-Dihydroxybenzamide3147-50-0Benzamide, 2,6-dihydroxy-EINECS 221-568-8DTXSID50185376NSC 49192RefChem:83251DTXCID60107867221-568-8WFIWHFWPQQSJDD-UHFFFAOYSA-NMFCD00017125.gamma.-Resorcylamide

Show more names

2 6-DIHYDROXYBENZAMIDE 95%

NSC-49192gamma-ResorcylamideNSC491922,6 dihydroxybenzamideNA44TYF9XHCHEMBL501393SCHEMBL1668962SCHEMBL5782851

Database identifiers

CAS: 3147-50-0
PubChem CID: 76602
DTXSID: DTXSID50185376
ChEMBL: CHEMBL501393
UNII: NA44TYF9XH
EC Number: 221-568-8
Nikkaji: J217.300J

Properties

Computed structural properties

XLogP: 1.5
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: 150

Experimental & physicochemical properties

LogP0.6

Physicochemical properties

Melting point: 210 °C · 210°C (dec.)
BRN: 2937308 · 2937308
CAS DataBase Reference: 3147 · 3147-50-0(CAS DataBase Reference)
FDA UNII: 44 TYF9XH · NA44TYF9XH
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.