1,4-Dicyano-2-butene

Basic Information

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CAS Number

1119-85-3

Molecular Formula

C6H6N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

76.0 to 79.0 deg-C

Boiling Point

120°C/0.7mmHg

Flash Point

146.2 °C

Refractive Index

1.5400 (estimate)

SMILES

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C(C=CCC#N)C#N

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

142

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

.beta.-Hydromucononitrile
EINECS 214-287-7
EINECS 242-519-7
3-Hexenedinitrile, (3E)-
1,4-dicyano-trans-2-butene
trans-1,4-Dicyano-2-butene
3-HEXENEDINITRILE
1,4-Dicyano-2-butene,trans
4-02-00-02238 (Beilstein Handbook Reference)
(3E)-3-Hexenedinitrile
1,4-Dicyano-2-butene
BRN 1720228
18715-38-3
(3E)-3-Hexenedinitrile #
HSDB 5790
(E)-Hex-3-enedinitrile
InChI=1/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1
(3E)-hex-3-enedinitrile
MFCD00001964
SCHEMBL819793
NS00082972
NSC 11685
D78348
Q27278075
1,4-Dicyano butene-2
SCHEMBL818468
beta-Hydromucononitrile
FMI3J48MFI
CS-0374361
W0IHU4R7XO
J-002681

MDL Number

MFCD00001964

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 1,4-Dicyano-2-butene (CAS: 1119-85-3)?

1,4-Dicyano-2-butene (CAS: 1119-85-3) is classified as a hazardous chemical according to the GHS (Globally Harmonized System of Classification and Labeling of Chemicals). It is regulated under various national and international laws such as REACH in the EU and FDA/EPA requirements in the USA. Producers and distributors must comply with these regulations for proper labeling, storage, and handling.

Are there alternatives to 1,4-Dicyano-2-butene (CAS: 1119-85-3) in synthesis?

There are several alternatives to 1,4-Dicyano-2-butene (CAS: 1119-85-3) in synthesis, such as 1,3-Dicyano-2-butene and 1,4-Dihydronitrile-2-butene. These alternatives may be used depending on the specific needs of the synthesis process. Other substitutes include common reagents like cyanoacrylates and nitriles, which can serve similar functional groups in different chemical reactions.

What is the market or research trend for 1,4-Dicyano-2-butene (CAS: 1119-85-3)?

The market for 1,4-Dicyano-2-butene (CAS: 1119-85-3) is primarily driven by its use in organic synthesis and pharmaceutical intermediates. Research trends are focusing on exploring its potential applications in new material developments, such as polymer synthesis, and its role in the green chemistry field. Additionally, there is ongoing interest in its use as a precursor in the production of various chemical compounds.

How should waste containing 1,4-Dicyano-2-butene (CAS: 1119-85-3) be handled?

Waste containing 1,4-Dicyano-2-butene (CAS: 1119-85-3) should be collected in appropriate containers and stored in a well-ventilated area away from incompatible materials. Safe disposal methods include incineration, which should be conducted by professional waste disposal services. Environmental protection measures include ensuring that no waste is released into the environment and that all disposal activities comply with local regulations and guidelines.