CAS No.15909-92-9,BIS(2-CYANOETHYL)PHENYLPHOSPHINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15909-92-9
Name:	BIS(2-CYANOETHYL)PHENYLPHOSPHINE
Article Data:	6

Formula:	C₁₂H₁₃N₂P
Molecular Weight:	216.222
Synonyms:	Bis(cyanoethyl)phenylphosphine;NSC 377646;Phenylbis(2-cyanoethyl)phosphine;Propionitrile,3,3'-(phenylphosphinidene)di- (6CI,7CI,8CI);Bis(2-cyanoethyl)phenylphosphine;
Melting Point:	72-73°C
Boiling Point:	419.3 °C at 760 mmHg
Flash Point:	207.4 °C
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 3439
PSA:	61.17000
LogP:	2.62116

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Specification

The CAS registry number of Propanenitrile,3,3'-(phenylphosphinidene)bis- is 15909-92-9. This chemical is also named as 3,3'-(Phenylphosphanediyl)dipropanenitrile. In addition, its molecular formula is C₁₂H₁₃N₂P and molecular weight is 216.22. Its IUPAC name is called 3-[2-cyanoethyl(phenyl)phosphanyl]propanenitrile.

Physical properties about Propanenitrile,3,3'-(phenylphosphinidene)bis- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 53; (6)Flash Point: 207.4 °C; (7)Enthalpy of Vaporization: 67.29 kJ/mol; (8)Boiling Point: 419.3 °C at 760 mmHg; (9)XLogP3-AA: 0.9; (10)Rotatable Bond Count: 5; (11)Exact Mass: 216.081635; (12)MonoIsotopic Mass: 216.081635; (13)Topological Polar Surface Area: 47.6; (14)Heavy Atom Count: 15; (15)Formal Charge: 0; (16)Complexity: 244; (17)Isotope Atom Count: 0; (18)Covalently-Bonded Unit Count: 1; (19)Feature 3D Acceptor Count: 2; (20)Feature 3D Ring Count: 1; (21)Effective Rotor Count: 5; (22)Conformer Sampling RMSD: 0.6; (23)CID Conformer Count: 41.

Preparation: this chemical can be prepared by acrylonitrile and phenylphosphane. This reaction will need reagent 10 N aq. KOH and solvent acetonitrile. The yield is about 58 %.

Propanenitrile,3,3'-(phenylphosphinidene)bis- can be prepared by acrylonitrile and phenylphosphane

Uses of Propanenitrile,3,3'-(phenylphosphinidene)bis-: it can be used to produce bis-(3-amino-propyl)-phenyl-phosphine at ambient temperature. It will need reagent LiAlH₄ and solvent diethyl ether with reaction time of 2 days. The yield is about 75 %.

Propanenitrile,3,3'-(phenylphosphinidene)bis- can be used to produce bis-(3-amino-propyl)-phenyl-phosphine

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCP(c1ccccc1)CCC#N
(2)InChI: InChI=1/C12H13N2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,10-11H2
(3)InChIKey: LIYGDNBFEBKBBZ-UHFFFAOYAA