Basic information
- CAS
13706-68-8- Standard SMILES
N#CCC(C#N)c1ccccc1- InChIKey
PERNOSOTUDEXCY-UHFFFAOYSA-N- Molecular formula
- C10H8N2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.06874826
Names & identifiers
- Preferred name
- Phenylsuccinonitrile
- IUPAC
- 2-phenylbutanedinitrile
- English name
- Phenylsuccinonitrile
- Molecular formula
- C10H8N2
- Molecular weight
- 156.18
Names & synonyms
Phenylsuccinonitrile13706-68-82-phenylbutanedinitrile2-PhenylsuccinonitrileButanedinitrile, 2-phenyl-Butanedinitrile,2-phenyl-MFCD000434861-phenylethane-1,2-dicarbonitrile2-phenyl-butanedinitrile2-Phenylsuccinonitrile #SCHEMBL2005747DTXSID60929703
Show more names
TIMTEC-BB SBB008064Phenylsuccininonitrile
PERNOSOTUDEXCY-UHFFFAOYSA-NSBB008064STK069572AKOS003658621AKOS022085527ST50827987F341936
Database identifiers
- CAS
13706-68-8- PubChem CID
- 139554
- DTXSID
DTXSID60929703- Nikkaji
- J2.421.395A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 67 · 67-69°C
- Boiling point
- 160 · 160-165°C 0,5mm
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- RIDADR
- 3276 · 3276
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
- ridadr
- 3276
- risk_code
- 20/21/22
- safety_code
- 22-36/37/39
Chemistry & industry
Suppliers4 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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