Basic information
- CAS
65361-26-4- Standard SMILES
O=C(Cl)c1cc2c(s1)CCCC2- InChIKey
NDXZYCKYJSHECJ-UHFFFAOYSA-N- Molecular formula
- C9H9ClOS
- Average molar mass
- 200.69 g/mol
- Monoisotopic mass
- 200.00626359
Names & identifiers
- Preferred name
- 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carbonyl chloride
- IUPAC
- 4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl chloride
- English name
- Benzo[b]thiophene-2-carbonyl chloride, 4,5,6,7-tetrahydro- (9CI)
- Molecular formula
- C9H9ClOS
- Molecular weight
- 200.69
Names & synonyms
65361-26-44,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl chloride4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carbonyl chloride4,5,6,7-tetrahydrobenzo[b]thiophene-2-carbonyl chlorideMFCD04968788Benzo[b]thiophene-2-carbonyl chloride, 4,5,6,7-tetrahydro-SCHEMBL104715DTXSID80424508NDXZYCKYJSHECJ-UHFFFAOYSA-NALBB-010818BBL016243SBB009416
Show more names
Benzo[b]thiophene-2-carbonyl chloride, 4,5,6,7-tetrahydro- (9CI)
STK349463AKOS000302104AS-9637ST50321702H258614,5,6,7-tetrahydrobenzothiophene-2-carbonyl chloride4,5,6,7-tetrahydrobenzo[b]thiophene-2-carbonylchloride
Database identifiers
- CAS
65361-26-4- PubChem CID
- 6485362
- DTXSID
DTXSID80424508- Nikkaji
- J1.252.808F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 324.7 · 324.7±42.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
12 records
Compound notes
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