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Bis(2-cyanoethyl)phosphine

HCID 77638
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4023-49-8
Standard SMILES
N#CCCPCCC#N
InChIKey
BMNCJOAMYDWZAS-UHFFFAOYSA-N
Molecular formula
C6H9N2P
Average molar mass
140.12 g/mol
Monoisotopic mass
140.05033529

Names & identifiers

Preferred name
Bis(2-cyanoethyl)phosphine
IUPAC
3-(2-cyanoethylphosphanyl)propanenitrile
English name
BIS(2-CYANOETHYL)PHOSPHINE
Molecular formula
C6H9N2P
Molecular weight
140.12

Names & synonyms

Bis(2-cyanoethyl)phosphinePropanenitrile, 3,3'-phosphinidenebis-EC6E72X38REINECS 223-686-5DTXSID70632673,3'-PHOSPHINIDENEBIS(PROPANENITRILE)RefChem:120081DTXCID4039736223-686-54023-49-83-(2-cyanoethylphosphanyl)propanenitrile3,3'-Phosphanediyldipropanenitrile
Show more names
AURORA KA-11083,3-PHOSPHANEDIYLDIPROPANENITRILE3,3’-phosphinidenebis-propanenitril3,3'-Phosphinidenebis(propiononitrile)3-(2-cyanoethylphosphino)propionitrile
UNII-EC6E72X38RSCHEMBL2225856BMNCJOAMYDWZAS-UHFFFAOYSA-NAKOS006280594s101793-(2-Cyano-ethylphosphanyl)-propionitrileDB-009579NS00049219

Database identifiers

CAS
4023-49-8
PubChem CID
77638
DTXSID
DTXSID7063267
UNII
EC6E72X38R
EC Number
223-686-5
Nikkaji
J217.834F

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
9
Formal charge
0
Complexity
129

Experimental & physicochemical properties

SpringerMaterials Properties31P nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point
157 · 157-159 °C(Press: 0.03 Torr)
FDA UNII
6 E72X38R · EC6E72X38R
EPA Substance Registry System
3 · Propanenitrile, 3,3'-phosphinidenebis- (4023-49-8)
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'-phosphinidenebis-: INACTIVE

Upstream & downstream products

Upstream raw materials

2-Cyanoethylphosphinetris(2-cyanoethyl)phosphine oxideTRIS(2-CYANOETHYL)PHOSPHINEAcetonitrileAcrylonitrile

Suppliers2 total

北京东华力拓科技发展有限公司010-88425576 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]

Related reactions

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Compound notes

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