(1-Benzothiophen-7-yl)methanol
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Basic information
- CAS
51830-53-6- Standard SMILES
OCc1cccc2ccsc12- InChIKey
AQJJFNFAYMLSNA-UHFFFAOYSA-N- Molecular formula
- C9H8OS
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.02958605
Overview
Benzo[b]thien-7-ylmethanol is a member of 1-benzothiophenes.
Names & identifiers
- Preferred name
- (1-Benzothiophen-7-yl)methanol
- IUPAC
- 1-benzothiophen-7-ylmethanol
- English name
- 1-benzothien-7-ylmethanol
- Molecular formula
- C9H8OS
- Molecular weight
- 164.22
Names & synonyms
51830-53-6(1-Benzothiophen-7-yl)methanolDTXSID30586322RefChem:204437DTXCID40537087962-086-4Benzo[b]thiophen-7-ylmethanol1-benzothien-7-ylmethanolBenzo[b]thien-7-ylmethanol1-benzothiophen-7-ylmethanolMFCD08572209Benzo[b]thiophen-7-yl-methanol
Show more names
Benzo[b]thiophene-7-methanol7-(Hydroxymethyl)benzo[b]thiophene 97%(1-Benzothiophen-7-yl)methanol, 7-(Hydroxymethyl)-1-benzothiophene
benzothiophen-7-ylmethanolSCHEMBL3154995SCHEMBL30620370AQJJFNFAYMLSNA-UHFFFAOYSA-NCHEBI:194614benzo[b]thiophen-7-ylmethan-1-ol7-(Hydroxymethyl)benzo[b]thiopheneSBB087819
Database identifiers
- CAS
51830-53-6- PubChem CID
- 16640611
- DTXSID
DTXSID30586322- ChEBI
CHEBI:194614- EC Number
- 962-086-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 76.5 °C · 76.5 °C
- CAS DataBase Reference
- 51830 · 51830-53-6
- Hazard Note
- Harmful
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- hazard_note
- Harmful
Chemistry & industry
Additional notes
DefinitionChEBI: Benzo[b]thien-7-ylmethanol is a member of 1-benzothiophenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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