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2-(Triphenylphosphoranylidene)acetonitrile

2-(Triphenylphosphoranylidene)acetonitrile structure

CAS No:
16640-68-9
Formula:
C20H16NP
Chemical Name:
2-(Triphenylphosphoranylidene)acetonitrile
Synonyms:
Acetonitrile,2-(triphenylphosphoranylidene)-;Acetonitrile,(triphenylphosphoranylidene)-;2-(Triphenylphosphoranylidene)acetonitrile;(Cyanomethylene)triphenylphosphorane;Triphenylcyanomethylenephosphorane;Cyanomethyltriphenylphosphonium ylide;(Cyanomethylene)triphenylphosphine;Triphenylphosphoranylidenacetonitrile;(Cyano)(triphenylphosphoranylidene)methane;(Triphenylphosphoranylidene)acetonitrile;NSC 135204;(Cyanomethylidene)triphenylphosphorane;2-(Triphenyl-λ5-phosphanylidene)acetonitrile;597558-27-5
Categories:
Organic Chemistry > Phosphines

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2-(Triphenylphosphoranylidene)acetonitrile Basic Attributes

Molecular Weight：

301.32

Exact Mass：

301.32

EC Number：

240-689-7

NSC Number：

135204

DSSTox ID：

DTXSID60168099

HScode：

2931900090

Characteristics

PSA：

23.8

XLogP3：

3.8

Density：

1.2±0.1 g/cm3

Melting Point：

192 °C

Boiling Point：

465.3°C at 760 mmHg

Flash Point：

>110°C

Refractive Index：

1.627

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG III

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:301.3
XLogP3:3.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:301.102036512
Monoisotopic Mass:301.102036512
Topological Polar Surface Area:23.8
Heavy Atom Count:22
Complexity:387
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Triphenylphosphoranylidene)acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-(Triphenylphosphoranylidene)acetonitrile

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