CAS 69393-72-2 1,3-Benzodioxol-4-ol (HCID 586727)

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Basic information

CAS: 69393-72-2
Standard SMILES: Oc1cccc2c1OCO2
InChIKey: XRSKRSVTUVLURN-UHFFFAOYSA-N
Molecular formula: C7H6O3
Average molar mass: 138.12 g/mol
Monoisotopic mass: 138.03169405

Names & identifiers

Preferred name: 1,3-Benzodioxol-4-ol
IUPAC: 1,3-benzodioxol-4-ol
English name: 1,3-Benzodioxol-4-ol
Molecular formula: C7H6O3
Molecular weight: 138.12

Names & synonyms

69393-72-21,3-Benzodioxol-4-olDTXSID00343020RefChem:1052680DTXCID60294100BENZO[D][1,3]DIOXOL-4-OL2H-1,3-benzodioxol-4-olMFCD000922322,3-Methylenedioxyphenolmethylenedioxyphenol4-hydroxy-1,3-benzodioxole1,3-dioxaindan-4-ol

Show more names

Paroxetine Impurity 37Paroxetine Impurity 13Paroxetine Impurity 133Paroxetine impurities7952H-benzo[d][1,3]dioxolan-4-ol

Benzo[1,3]dioxol-4-olSCHEMBL1185564-hydroxyl-benzo[1,3]dioxolaneCS-16052SY278179Y13605Z409065236Paroxetine Impurity 15

Database identifiers

CAS: 69393-72-2
PubChem CID: 586727
DTXSID: DTXSID00343020
Nikkaji: J2.767.004K

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 65 °C · 65 °C
Boiling point: 68 · 68-72 °C(Press: 0.2 Torr)
Density: 1.394 · 1.394±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 9.59 · 9.59±0.20(Predicted)
Appearance: White to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2932990090 · 2932990090

Safety & regulation

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313