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Home > Encyclopedia > Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) structure

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) 

structure
  • CAS No:

    5015-38-3

  • Formula:

    C3H6NO4P.Ba

  • Chemical Name:

    Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)

  • Synonyms:

    Propanenitrile,3-(phosphonooxy)-,barium salt (1:1);Hydracrylonitrile,dihydrogen phosphate (ester),barium salt (1:1);Barium β-cyanoethyl phosphate;Barium 2-cyanoethyl phosphate;2-Cyanoethyl phosphate barium salt;860389-90-8

  • Categories:

    Organic Chemistry  >  Organometalate

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) Basic Attributes

286.37

286.893036

225-696-5

DTXSID3063677

2926909090

Characteristics

106.02000

0.88578

>300°C

404.6ºC at 760mmHg

198.5ºC

1 M HCl: soluble 0.25g/5mL, clear, colorless

Safety Information

6.1

UN 2811 6.1/PG 3

1

20/22

28

Xn

P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, P501

H302 + H332

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) Use and Manufacturing

Uses

A phosphorylating agent with a protecting group sensitive to mild alkali, useful as an intermediate in the synthesis of nucleotides

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1): ACTIVE

Computed Properties

Molecular Weight:286.37
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:286.893042
Monoisotopic Mass:286.893042
Topological Polar Surface Area:96.2
Heavy Atom Count:10
Complexity:152
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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