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3-Hexenedinitrile

3-Hexenedinitrile structure

CAS No:
1119-85-3
Formula:
C6H6N2
Chemical Name:
3-Hexenedinitrile
Synonyms:
3-Hexenedinitrile;β-Hydromucononitrile;1,4-Dicyano-2-butene;NSC 11685
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

beige to light brown crystalline solid

3-Hexenedinitrile Basic Attributes

Molecular Weight：

106.13

Exact Mass：

106.13

EC Number：

242-519-7

HScode：

2926909090

Characteristics

PSA：

47.58000

XLogP3：

1.36996

Density：

0.9964 (rough estimate)

Melting Point：

74-76 °C

Boiling Point：

135-140 °C @ Press: 3 Torr

Flash Point：

146.2ºC

Refractive Index：

1.5400 (estimate)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

R20/21

safety instructions：

23-37/39-26

RTECS Number：

MP6750000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|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

Methods of Manufacturing

REACTION OF 1,4-DICHLOROBUTENES WITH SODIUM CYANIDE IN THE PRESENCE OF A COPPER CATALYST PRODUCES AN ISOMERIC MIXTURE OF 1,4-DICYANOBUTENES

Uses

CHEM INT FOR ADIPONITRILE (AS ISOMERIC MIXT)

Production

(1979) MORE THAN 2.27X10+6 G-AS ISOMERIC MIXT|(1981) MORE THAN 2.27X10+6 G-AS ISOMERIC MIXT

Consumption Patterns：

ESSENTIALLY 100% AS A CHEMICAL INTERMEDIATE

Manufacturing Info：

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

Recommended Suppliers of 3-Hexenedinitrile

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

trans-1,4-dicyano-2-butene, trans-3-Hexenedinitrile

CAS No.: 1119-85-3

Content: 99.00%

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Shanghai RC Chemicals Co., Ltd Contact Supplier

CN
5 YRS

Business licensed

Distributor Supplier of API,API Intermediates,Food supplements,Electronic Intermediates,Arochemical Intermediates,Cosmetic raw meterials,Fine Chemicals

1,4-DICYANO-2-BUTENE 99%

CAS No.: 1119-85-3

Content: 99%

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of PVC resin,pvc paste resin,melamine

3-Hexenedinitrile 99% see COA kanbei

CAS No.: 1119-85-3

Grade: Industrial Grade

Content: 99%

Inquiry