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3-Amino-2-butenenitrile

3-Amino-2-butenenitrile structure

CAS No:
1118-61-2
Formula:
C4H6N2
Chemical Name:
3-Amino-2-butenenitrile
Synonyms:
2-Butenenitrile,3-amino-;Crotononitrile,3-amino-;3-Amino-2-butenenitrile;β-Aminocrotonitrile;3-Aminocrotononitrile;β-Aminocrotononitrile;3-Amino-3-methylacrylonitrile;3-Aminocrotonitrile;NSC 102759
Categories:
Chemical Reagents > Organic Reagents

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Description

Yellowish flakes

OtherSolid

3-Amino-2-butenenitrile Basic Attributes

Molecular Weight：

82.1

Exact Mass：

82.10

BRN：

1719815

EC Number：

214-266-2

DSSTox ID：

DTXSID3061508

HScode：

29269090

Characteristics

PSA：

49.8

XLogP3：

1.07278

Appearance：

Yellow Flakes

Density：

0.952

Melting Point：

79-81°C

Boiling Point：

120°C4mm

Flash Point：

154°C

Refractive Index：

1.4449 (estimate)

Water Solubility：

Very soluble in water, soluble in ethanol.95% ethanol: soluble 25mg/mL, clear, colorless to yellow

Storage Conditions：

2-8°C

Vapor Pressure：

0.00484mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439 6.1/PG 3

wgk germany：

hazard class code：

22-20/21/22-43-24/25

safety instructions：

22-24/25-29-36/37-45

Marks：

Xn,T

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264-P280-P301 + P310-P312

Hazard Statements：

H300-H311-H317

GHS Classification：

|Danger|H300 (78.75%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P337+P313, P361, P363, P405, and P501|Aggregated GHS information provided by 80 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Amino-2-butenenitrile Use and Manufacturing

Uses

Diacetonitrile is used as intermediate for the syntheses of heterocycles (e.g. pyridines and pyrimidines) and for the production of polyurethane). It is used in the pharmaceutical (e.g. production of sulfsomizole) and dyestuff industries. Product Data Sheet

Intermediates

Paper products

Production

< 25,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|2-Butenenitrile, 3-amino-: ACTIVE

Computed Properties

Molecular Weight:82.10
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:82.053098200
Monoisotopic Mass:82.053098200
Topological Polar Surface Area:49.8
Heavy Atom Count:6
Complexity:104
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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