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3-Butenenitrile

3-Butenenitrile structure

CAS No:
109-75-1
Formula:
C4H5N
Chemical Name:
3-Butenenitrile
Synonyms:
3-Butenenitrile;Allyl cyanide;β-Butenonitrile;Vinylacetonitrile;1-Butene-3-nitrile;3-Butenylnitrile;3-Butenonitrile;3-Cyanopropene;1-Propene-3-nitrile;3-Cyano-1-propene;2-Propenyl cyanide;NSC 2583
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS TO YELLOW LIQUID

Liquid

But-3-enenitrile is a nitrile.

3-Butenenitrile Basic Attributes

Molecular Weight：

67.09

Exact Mass：

67.09

BRN：

605352

EC Number：

203-701-1

UNII：

527U1WJJ18

NSC Number：

2583

DSSTox ID：

DTXSID6021905

HScode：

2926 90 70

Characteristics

PSA：

23.8

XLogP3：

0.40

Appearance：

Colorless to pale brown Liquid

Density：

0.83409 g/cm³ @ Temp: 20 °C

Melting Point：

-87 °C

Boiling Point：

119 °C

Flash Point：

75 °F

Refractive Index：

n 20/D 1.406

Water Solubility：

Not miscible in water.

Storage Conditions：

Store at +2°C to +8°C.

Vapor Pressure：

18.48 mmHg

Toxicity：

Oral-Rat LD50: 115 mg/kg; subcutaneous-rat LD50: 150 mg/kg

Flammability characteristics：

Combustible in case of open flames and high heat; produces toxic nitrogen oxide fumes when heated, decomposes toxic gases in case of acids

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1992 3/PG 3

wgk germany：

hazard class code：

10-21-23/25-36/38

safety instructions：

26-36/37/39-45

RTECS Number：

EM8050000

Marks：

Storage features：

The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H226-H301 + H331-H312-H315-H319

GHS Classification：

|Danger|H226 (48.6%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 107 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

3-butenenitrile

3-Butenenitrile Use and Manufacturing

Methods of Manufacturing

From the reaction of allyl bromide and cuprous cyanide.

Uses

Used in organic synthesis.

Manufacturing Info：

3-Butenenitrile: ACTIVE

Computed Properties

Molecular Weight:67.09
XLogP3:0.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:67.042199164
Monoisotopic Mass:67.042199164
Topological Polar Surface Area:23.8
Heavy Atom Count:5
Complexity:65
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetonitrile

Downstream Products

Ethanol

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CAS No.: 109-75-1

Grade: Industrial Grade

Content: 99%

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