7-Methyl-1-benzothiophene

HCID 6428541

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Basic information

CAS: 14315-15-2
Standard SMILES: Cc1cccc2ccsc12
InChIKey: PIHVNUSWMTZFBD-UHFFFAOYSA-N
Molecular formula: C9H8S
Average molar mass: 148.23 g/mol
Monoisotopic mass: 148.03467126

Names & identifiers

Preferred name: 7-Methyl-1-benzothiophene
IUPAC: 7-methyl-1-benzothiophene
English name: 7-METHYL-BENZO[B]THIOPHENE
Molecular formula: C9H8S
Molecular weight: 148.22

Names & synonyms

7-Methyl-1-benzothiopheneRefChem:546769870-934-97-Methylbenzo[b]thiophene14315-15-27-Methyl-benzo[b]thiophene7-methylbenzothiopheneBenzo[b]thiophene, 7-methyl-MFCD001300987-Methylbenzo(b)thiopheneBenzo(b)thiophene, 7-methyl-7-methyl-benzothiophene

Show more names

7-Methylbenzothiophene in isooctane

Benzothiophene, 7-methylSCHEMBL156699SCHEMBL288299SCHEMBL383464SCHEMBL4311450SCHEMBL4458556SCHEMBL4462855SCHEMBL4805844

Database identifiers

CAS: 14315-15-2
PubChem CID: 6428541
DTXSID: DTXSID40879737
EC Number: 870-934-9
Nikkaji: J641.440K

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Experimental & physicochemical properties

LogP3.85

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362