Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-
Basic information
- CAS
61886-43-9- Standard SMILES
O=C1CSc2c(Cl)ccc(Cl)c21- InChIKey
RXBGQMAHSXLVLU-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2OS
- Average molar mass
- 219.09 g/mol
- Monoisotopic mass
- 217.9359913
Names & identifiers
- Preferred name
- Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-
- IUPAC
- 4,7-dichloro-1-benzothiophen-3-one
- English name
- 4,7-dichlorobenzo[b]thiophene-3(2H)-one
- Molecular formula
- C8H4Cl2OS
- Molecular weight
- 219.09
Names & synonyms
Benzo[b]thiophen-3(2H)-one, 4,7-dichloro-EINECS 263-291-5DTXSID8069519Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-RefChem:565164DTXCID704316061886-43-94,7-dichloro-1-benzothiophen-3(2h)-one4,7-dichlorobenzo[b]thiophene-3(2h)-one4,7-dichloro-1-benzothiophen-3-one4,7-Dichlorobenzo(b)thiophene-3(2H)-one4,7-Dichlorobenzo[b]thiophen-3(2H)-one
Show more names
SCHEMBL10606233RXBGQMAHSXLVLU-UHFFFAOYSA-NMFCD00033507AKOS024324253SY403598DB-305318NS00034828
Database identifiers
- CAS
61886-43-9- PubChem CID
- 112766
- DTXSID
DTXSID8069519- EC Number
- 263-291-5
- Nikkaji
- J306.930C
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 209
Physicochemical properties
- Melting point
- 135 °C · 135 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 352.6 · 352.6±42.0 °C(Predicted)
- Density
- 1.583 · 1.583±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- -3 · Benzo[b]thiophen-3(2H)-one, 4,7-dichloro- (61886-43-9)
- 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, 4,7-dichloro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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