Basic information
- CAS
477851-23-3- Standard SMILES
N#CC(=CNc1ccc(Cl)cc1Cl)c1ccsc1- InChIKey
XUOWZWJUCICKBQ-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2S
- Average molar mass
- 295.2 g/mol
- Monoisotopic mass
- 293.9785248
Names & identifiers
- Preferred name
- 3-[(2,4-Dichlorophenyl)amino]-2-(thiophen-3-YL)prop-2-enenitrile
- IUPAC
- 3-(2,4-dichloroanilino)-2-thiophen-3-ylprop-2-enenitrile
- English name
- 3-(2,4-DICHLOROANILINO)-2-(3-THIENYL)ACRYLONITRILE
- Molecular formula
- C13H8Cl2N2S
- Molecular weight
- 295.19
Names & synonyms
3-[(2,4-DICHLOROPHENYL)AMINO]-2-(THIOPHEN-3-YL)PROP-2-ENENITRILE3-(2,4-dichloroanilino)-2-(3-thienyl)acrylonitrile3-(2,4-dichloroanilino)-2-thiophen-3-ylprop-2-enenitrileDTXSID801172234AKOS0302438593-(2,4-Dichloroanilino)-2-(thiophen-3-yl)prop-2-enenitrileI+/--[[(2,4-Dichlorophenyl)amino]methylene]-3-thiopheneacetonitrile3-Thiopheneacetonitrile, α-[[(2,4-dichlorophenyl)amino]methylene]-
Database identifiers
- CAS
477851-23-3- PubChem CID
- 3693964
- DTXSID
DTXSID801172234
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 430.2 · 430.2±45.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- -3.25 · -3.25±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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