Basic information
- CAS
5964-09-0- Standard SMILES
N#CCC[P+](=O)CCC#N- InChIKey
BMNCJOAMYDWZAS-UHFFFAOYSA-N- Molecular formula
- C6H8N2OP+
- Average molar mass
- 155.11 g/mol
- Monoisotopic mass
- 155.03742488
Names & identifiers
- Preferred name
- Bis(2-cyanoethyl)phosphine oxide
- IUPAC
- bis(2-cyanoethyl)-oxophosphanium
- English name
- bis(2-cyanoethyl)phosphine oxide
- Molecular formula
- C6H9N2OP
- Molecular weight
- 156.122221
Names & synonyms
Bis(2-cyanoethyl)phosphine oxidePropanenitrile, 3,3'-phosphinylidenebis-5964-09-04Z765R92QDEINECS 227-740-9DTXSID2064070PROPIONITRILE, 3,3'-PHOSPHINYLIDENEDI-RefChem:568721DTXCID1042659227-740-9UNII-4Z765R92QDSCHEMBL10338560
Show more names
3,3'-Phosphinylidenebis(propanenitrile)
SCHEMBL10338561bis-(2-cyanoethyl)phosphine oxideDSIQDXZNQNRKSD-UHFFFAOYSA-NGIIKDPPVXLAAQJ-UHFFFAOYSA-NNS000481023,3'-(Oxo-lambda~5~-phosphanediyl)dipropanenitrile
Database identifiers
- CAS
5964-09-0- PubChem CID
- 6335209
- DTXSID
DTXSID2064070- UNII
- 4Z765R92QD
- EC Number
- 227-740-9
- Nikkaji
- J223.914K
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 184
Physicochemical properties
- Melting point
- 96 · 96-98 °C(Solv: acetone (67-64-1))
- Boiling point
- 374.3 · 374.3±52.0 °C(Predicted)
- FDA UNII
- 4 Z765R92QD · 4Z765R92QD
- EPA Substance Registry System
- 3 · Propanenitrile, 3,3'-phosphinylidenebis- (5964-09-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3,3'-phosphinylidenebis-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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