Basic information
- CAS
93523-13-8- Standard SMILES
O=C(CCNc1ccc(Cl)c(Cl)c1)c1cccs1- InChIKey
GKAPCTSOWBDGCC-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2NOS
- Average molar mass
- 300.2 g/mol
- Monoisotopic mass
- 298.9938405
Names & identifiers
- Preferred name
- 3-(3,4-Dichloroanilino)-1-(2-thienyl)-1-propanone
- IUPAC
- 3-(3,4-dichloroanilino)-1-thiophen-2-ylpropan-1-one
- English name
- 3-(3,4-Dichloroanilino)-1-(2-thienyl)-1-propanone
- Molecular formula
- C13H11Cl2NOS
- Molecular weight
- 300.2
Names & synonyms
93523-13-83-(3,4-dichloroanilino)-1-(2-thienyl)-1-propanone3-(3,4-dichloroanilino)-1-thiophen-2-ylpropan-1-one3-[(3,4-dichlorophenyl)amino]-1-(thiophen-2-yl)propan-1-one3-((3,4-Dichlorophenyl)amino)-1-(thiophen-2-yl)propan-1-oneCBMicro_037707C13H11Cl2NOSOprea1_282996STA005370AKOS005108593JS-2360BIM-0037627.P001
Show more names
SALOR-INT L200948-1EA1-Propanone, 3-[(3,4-dichlorophenyl)amino]-1-(2-thienyl)-
CS-0365428SR-01000510056SR-01000510056-13-(3,4-dichloroanilino)-1-(2-thienyl)propan-1-one
Database identifiers
- CAS
93523-13-8- PubChem CID
- 877339
- EC Number
- 125-879-9
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 479.2 · 479.2±40.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.50(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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, 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. 3 (100%)
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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