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Home > Encyclopedia > 2-Propen-1-yl 2-cyanoacetate

2-Propen-1-yl 2-cyanoacetate

2-Propen-1-yl 2-cyanoacetate structure

2-Propen-1-yl 2-cyanoacetate 

structure
  • CAS No:

    13361-32-5

  • Formula:

    C6H7NO2

  • Chemical Name:

    2-Propen-1-yl 2-cyanoacetate

  • Synonyms:

    Acetic acid,2-cyano-,2-propen-1-yl ester;Acetic acid,cyano-,allyl ester;Acetic acid,cyano-,2-propenyl ester;2-Propen-1-yl 2-cyanoacetate;Cyanoacetic acid allyl ester;Allyl cyanoacetate;Allyl 2-cyanoacetate

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

2-Propen-1-yl 2-cyanoacetate Basic Attributes

125.13

125.13

236-423-4

6A64N945D8

DTXSID1065425

2926909090

Characteristics

50.1

0.42

Liquid

1.0±0.1 g/cm3

89-90 °C @ Press: 3.8 Torr

>230 °F

1.436

Store below +30°C.

0.118mmHg at 25°C

Oral-rat LD50: 160  mg/kg

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

III

6.1(b)

UN 3276 6.1/PG 3

3

20/21/22-36/37/38

26-28-36/37/39-45

AG3690000

Xn

Treasury is ventilated, low temperature and dry; stored separately from food materials

P261-P280-P301 + P310-P305 + P351 + P338

H301-H312-H315-H319-H332-H335

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

highly toxic

2-Propen-1-yl 2-cyanoacetate Use and Manufacturing

Uses

Allyl cyanoacetate is an intermediate for special adhesives. Product Data Sheet

Acetic acid, 2-cyano-, 2-propen-1-yl ester: ACTIVE

Computed Properties

Molecular Weight:125.13
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:125.047678466
Monoisotopic Mass:125.047678466
Topological Polar Surface Area:50.1
Heavy Atom Count:9
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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