Basic information
- CAS
2972-79-4- Standard SMILES
N#CC(C#N)=Cc1c(Cl)cccc1Cl- InChIKey
JONNMZZDUHHEOH-UHFFFAOYSA-N- Molecular formula
- C10H4Cl2N2
- Average molar mass
- 223.05 g/mol
- Monoisotopic mass
- 221.9751535
Names & identifiers
- Preferred name
- Propanedinitrile, ((2,6-dichlorophenyl)methylene)-
- IUPAC
- 2-[(2,6-dichlorophenyl)methylidene]propanedinitrile
- English name
- 2,6-Dichlorobenzalmalononitrile
- Molecular formula
- C10H4Cl2N2
- Molecular weight
- 223.06
Names & synonyms
2972-79-42-[(2,6-dichlorophenyl)methylidene]propanedinitrilePropanedinitrile, ((2,6-dichlorophenyl)methylene)-2-(2,6-dichlorobenzylidene)malononitrile(2,6-dichlorobenzylidene)malononitrileMFCD001202436SLM7EG4PZ((2,6-Dichlorophenyl)methylene)propanedinitrileNSC-98314NSC98314NSC 98314starbld0005097
Show more names
2,6-Dichlorobenzalmalononitrile2-[(2,6-Dichlorophenyl)methylene]propanedinitrilePropanedinitrile, 2-[(2,6-dichlorophenyl)methylene]-Dextropropoxyphene Hydrochloride Impurity 6 (Dextropropoxyphene Hydrochloride EP Impurity F)
UNII-6SLM7EG4PZNCIOpen2_006646SCHEMBL6839476DTXSID90183871JONNMZZDUHHEOH-UHFFFAOYSA-N2,6-dichlorobenzylidene malononitrileAKOS002951930AS-9501
Database identifiers
- CAS
2972-79-4- PubChem CID
- 97066
- DTXSID
DTXSID90183871
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 365.2 · 365.2±37.0 °C(Predicted)
- Density
- 1.417 · 1.417±0.06 g/cm3(Predicted)
- FDA UNII
- 6 SLM7EG4PZ · 6SLM7EG4PZ
Chemistry & industry
Suppliers4 total
天津康利欣科技有限公司18622939839 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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