Basic information
- CAS
13668-93-4- Standard SMILES
O=C(CCl)c1cc(Cl)sc1Cl- InChIKey
JZKWVEHRDTWYBT-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3OS
- Average molar mass
- 229.5 g/mol
- Monoisotopic mass
- 227.89701876
Names & identifiers
- Preferred name
- 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone
- IUPAC
- 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethanone
- English name
- 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one
- Molecular formula
- C6H3Cl3OS
- Molecular weight
- 229.51
Names & synonyms
13668-93-42-chloro-1-(2,5-dichlorothien-3-yl)ethanone2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one2-chloro-1-(2,5-dichlorothiophen-3-yl)ethanoneMFCD01084557Ethanone, 2-chloro-1-(2,5-dichloro-3-thienyl)-2-chloro-1-(2,5-dichloro-3-thienyl)ethanoneBDBM7870CHEMBL356459SCHEMBL6790563DTXSID70350524JZKWVEHRDTWYBT-UHFFFAOYSA-N
Show more names
EBC-08109AKOS000122860Chloromethyl Thienyl Ketone deriv. 18SY148041CS-0299708EN300-12414G477182-Chloro-1-(2,5-dichloro-thiophen-3-yl)-ethanone
Database identifiers
- CAS
13668-93-4- PubChem CID
- 681957
- DTXSID
DTXSID70350524- ChEMBL
CHEMBL356459- EC Number
- 127-285-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 42.5 · 42.5-43.5 °C
- Boiling point
- 280.9 · 280.9±40.0 °C(Predicted)
- Density
- 1.574 · 1.574±0.06 g/cm3(Predicted)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
Loading…