Basic information
- CAS
5858-07-1- Standard SMILES
Cc1cc(Cl)cc2c1C(=O)CS2- InChIKey
UPPUKRIDAPMTRP-UHFFFAOYSA-N- Molecular formula
- C9H7ClOS
- Average molar mass
- 198.67 g/mol
- Monoisotopic mass
- 197.9906137
Names & identifiers
- Preferred name
- 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one
- IUPAC
- 6-chloro-4-methyl-1-benzothiophen-3-one
- English name
- 6-chloro-4-methyl-benzo(b)thiophene-3-o
- Molecular formula
- C9H7ClOS
- Molecular weight
- 198.67
Names & synonyms
5858-07-1Benzo[b]thiophen-3(2H)-one, 6-chloro-4-methyl-3-Thianaphthenol, 6-chloro-4-methyl-6-Chloro-4-methylbenzo(b)thiophen-3(2H)-oneEINECS 227-483-2K033C6226IBenzo(b)thiophen-3(2H)-one, 6-chloro-4-methyl-6-Chloro-4-methylbenzo(b)thiophene-3-olAI3-61708DTXSID1064033UNII-K033C6226IBenzo(b)thiophene-3-ol, 6-chloro-4-methyl-
Show more names
6-chloro-4-methyl-3-thianaphtheno6-chloro-4-methyl-benzothiophen-3-one6-chloro-4-methyl-benzo(b)thiophene-3-o
6-CHLORO-4-METHYLTHIONAPHTHEN-3-ONE6-chloro-4-methylbenzo[b]thiophen-3(2H)-one6-CHLORO-3-HYDROXY-4-METHYLTHIONAPHTHENE6-CHLORO-4-METHYL-3-(2H)THIANAPHTHENONERefChem:104401DTXCID8042424227-483-26-chloro-4-methyl-1-benzothiophen-3-one
Database identifiers
- CAS
5858-07-1- PubChem CID
- 79962
- DTXSID
DTXSID1064033- UNII
- K033C6226I
- EC Number
- 227-483-2
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 354 · 354.0±42.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- FDA UNII
- 33 C6226I · K033C6226I
- EPA Substance Registry System
- -3 · Benzo[b]thiophen-3(2H)-one, 6-chloro-4-methyl- (5858-07-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzo[b]thiophen-3(2H)-one, 6-chloro-4-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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