Basic information
- CAS
338982-10-8- Standard SMILES
N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(N)c1- InChIKey
FISQHGPGQXANAC-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2S
- Average molar mass
- 295.2 g/mol
- Monoisotopic mass
- 293.9785248
Names & identifiers
- Preferred name
- 3-Amino-4-((2,6-dichlorophenyl)thio)benzonitrile
- IUPAC
- 3-amino-4-(2,6-dichlorophenyl)sulfanylbenzonitrile
- English name
- 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]benzenecarbonitrile
- Molecular formula
- C13H8Cl2N2S
- Molecular weight
- 295.19
Names & synonyms
338982-10-83-Amino-4-((2,6-dichlorophenyl)thio)benzonitrile3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile3-amino-4-[(2,6-dichlorophenyl)sulfanyl]benzonitrileMFCD019359343-Amino-4-[(2,6-dichlorophenyl)thio]benzonitrile3-amino-4-(2,6-dichlorophenyl)sulfanylbenzonitrile3-amino-4-[(2,6-dichlorophenyl)sulfanyl]benzenecarbonitrileDTXSID301238699SBB055332AKOS005069462SB82570
Show more names
Benzonitrile, 3-amino-4-[(2,6-dichlorophenyl)thio]-
11K-550S3-amino-4-(2,6-dichlorophenyl)sulfanyl-benzonitrile3-amino-4-(2,6-dichlorophenylthio)benzenecarbonitrile3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]benzene carbonitrile
Database identifiers
- CAS
338982-10-8- PubChem CID
- 2763370
- DTXSID
DTXSID301238699
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 180 · 180-184°C
- Boiling point
- 409.5 · 409.5±45.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 1.24 · 1.24±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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