3-Hexenedinitrile
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3-Hexenedinitrile
structure -
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CAS No:
1119-85-3
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Formula:
C6H6N2
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Chemical Name:
3-Hexenedinitrile
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Synonyms:
3-Hexenedinitrile;β-Hydromucononitrile;1,4-Dicyano-2-butene;NSC 11685
- Categories:
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CAS No:
Characteristics
47.58000
1.36996
0.9964 (rough estimate)
74-76 °C
135-140 °C @ Press: 3 Torr
146.2ºC
1.5400 (estimate)
Safety Information
III
6.1
3439
3
R20/21
23-37/39-26
MP6750000
Xn
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Hexenedinitrile Use and Manufacturing
REACTION OF 1,4-DICHLOROBUTENES WITH SODIUM CYANIDE IN THE PRESENCE OF A COPPER CATALYST PRODUCES AN ISOMERIC MIXTURE OF 1,4-DICYANOBUTENES
CHEM INT FOR ADIPONITRILE (AS ISOMERIC MIXT)
(1979) MORE THAN 2.27X10+6 G-AS ISOMERIC MIXT|(1981) MORE THAN 2.27X10+6 G-AS ISOMERIC MIXT
ESSENTIALLY 100% AS A CHEMICAL INTERMEDIATE
3-Hexenedinitrile: INACTIVE
Computed Properties
Molecular Weight:106.13
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:106.053098200
Monoisotopic Mass:106.053098200
Topological Polar Surface Area:47.6
Heavy Atom Count:8
Complexity:142
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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