Benzo(b)thiophene-6-ol

HCID 88004

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Basic information

CAS: 19301-39-4
Standard SMILES: Oc1ccc2ccsc2c1
InChIKey: DQUZFPKUMCZPQD-UHFFFAOYSA-N
Molecular formula: C8H6OS
Average molar mass: 150.2 g/mol
Monoisotopic mass: 150.01393581

Names & identifiers

Preferred name: Benzo(b)thiophene-6-ol
IUPAC: 1-benzothiophen-6-ol
English name: benzo[b]thiophene-6-ol
Molecular formula: C8H6OS
Molecular weight: 150.2

Names & synonyms

19301-39-4BENZO[B]THIOPHENE-6-OLBenzo(b)thiophene-6-olEINECS 242-950-0DTXSID30172906RefChem:118211DTXCID9095397242-950-0benzo[b]thiophen-6-ol1-benzothiophen-6-ol6-HydroxybenzothiopheneMFCD01860290

Show more names

6-Hydroxybenzo[b]thiophene

1-benzothiophene-6-olbenzothiophen-6-olSCHEMBL276241SCHEMBL911044SCHEMBL3815388SCHEMBL7246322SCHEMBL9624185CHEMBL4576268

Database identifiers

CAS: 19301-39-4
PubChem CID: 88004
DTXSID: DTXSID30172906
ChEMBL: CHEMBL4576268
EC Number: 242-950-0
Nikkaji: J242.766D

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 48.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 102 · 102-103℃
Boiling point: 302 ℃ · 302℃
Density: 1.347 · 1.347
Flash point: 136 ℃ · 136℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.39 · 9.39±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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.