Basic information
- CAS
2972-73-8- Standard SMILES
N#CC(C#N)=Cc1cccc(Cl)c1- InChIKey
CGLGAIINXSHQBP-UHFFFAOYSA-N- Molecular formula
- C10H5ClN2
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.0141259
Names & identifiers
- Preferred name
- Propanedinitrile, ((3-chlorophenyl)methylene)-
- IUPAC
- 2-[(3-chlorophenyl)methylidene]propanedinitrile
- English name
- Propanedinitrile,2-[(3-chlorophenyl)methylene]-
- Molecular formula
- C10H5ClN2
- Molecular weight
- 188.61
Names & synonyms
2972-73-8Propanedinitrile, ((3-chlorophenyl)methylene)-((3-Chlorophenyl)methylene)propanedinitrileNSC 98315DTXSID60183868RefChem:374372DTXCID00106359(3-chlorobenzylidene)propanedinitrile2-(3-Chlorobenzylidene)malononitrile2-[(3-chlorophenyl)methylidene]propanedinitrile3-ChlorobenzylidenemalononitrileMFCD00175209
Show more names
2-[(3-Chlorophenyl)methylene]propanedinitrilePropanedinitrile,2-[(3-chlorophenyl)methylene]-
5D2K9PJM7ENSC-98315NSC637333NSC98315UNII-5D2K9PJM7ENCIOpen2_001860m-ChlorobenzylidenemalononitrileSCHEMBL3368325
Database identifiers
- CAS
2972-73-8- PubChem CID
- 97067
- DTXSID
DTXSID60183868- UNII
- 5D2K9PJM7E
- Nikkaji
- J581.960A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 336.3 · 336.3±32.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- FDA UNII
- 5 D2K9PJM7E · 5D2K9PJM7E
- 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
Suppliers11 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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