2-Dibenzofuranol

HCID 66587

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Basic information

CAS: 86-77-1
Standard SMILES: Oc1ccc2oc3ccccc3c2c1
InChIKey: HGIDRHWWNZRUEP-UHFFFAOYSA-N
Molecular formula: C12H8O2
Average molar mass: 184.19 g/mol
Monoisotopic mass: 184.05242949

Names & identifiers

Preferred name: 2-Dibenzofuranol
IUPAC: dibenzofuran-2-ol
English name: 2-Hydroxydibenzofuran
Molecular formula: C12H8O2
Molecular weight: 184.19

Names & synonyms

2-Hydroxydibenzofuran86-77-1Dibenzo[b,d]furan-2-ol2-Dibenzofuranol3-Hydroxybiphenylene oxide36LCB7L6S7NSC-10863CHEBI:34287DTXSID80235338dibenzo(b,d)furan-2-olRefChem:87518DTXCID80157829

Show more names

2-hydroxydibenzofura3-Oxydiphenylene oxide2-HYDROXYDIBENZOFURAN, 982-Hydroxydibenzofuran in isooctaneJWH-018 Impurity 4（5-Hydroxyindole）

201-698-1Dibenzofuran-2-ol2-Hydroxydibenzofurane2-Hydroxy-3-dibenzofuranUNII-36LCB7L6S7MFCD00010325EINECS 201-698-1NSC 10863

Database identifiers

CAS: 86-77-1
PubChem CID: 66587
DTXSID: DTXSID80235338
ChEMBL: CHEMBL397631
ChEBI: CHEBI:34287
UNII: 36LCB7L6S7
EC Number: 201-698-1
Nikkaji: J99.448K

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 33.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 216

Experimental & physicochemical properties

Kovats Retention Index1782.7

Physicochemical properties

Melting point: 133 · 133-135 °C(lit.)
Boiling point: 348 °C · 348 °C(Press: 758 Torr)
Density: 1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
pka: 9.27 · 9.27±0.30(Predicted)
Appearance: Light brown to brown Solid
FDA UNII: 36 LCB7L6S7 · 36LCB7L6S7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362