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ChemicalBook--->CAS DataBase List--->1772-25-4

1772-25-4

1772-25-4 Structure

1772-25-4 Structure
IdentificationBack Directory
[Name]

1,3,6-HEXANETRICARBONITRILE
[CAS]

1772-25-4
[Synonyms]

HTCN
1,3,6-HEXANETRICARBONITRILE
hexane-1,3,6-tricarbonitrile
1,3,6-Hexanetricarbonitrile>
1,3,6-HEXANETRICARBONITRILE (HTCN)
(+/-)-1,3,6-HEXANETRICARBONITRILE, TECH. , 80+%
[EINECS(EC#)]

217-199-7
[Molecular Formula]

C9H11N3
[MDL Number]

MFCD00129792
[MOL File]

1772-25-4.mol
[Molecular Weight]

161.2
Chemical PropertiesBack Directory
[Boiling point ]

255-260 °C2 mm Hg(lit.)
[density ]

1.04 g/mL at 25 °C(lit.)
[vapor pressure ]

2Pa at 25℃
[refractive index ]

n20/D 1.466(lit.)
[Fp ]

185 °F
[form ]

clear liquid
[color ]

Light yellow to Yellow to Orange
[Water Solubility ]

16.85g/L at 20℃
[InChI]

InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2
[InChIKey]

LNLFLMCWDHZINJ-UHFFFAOYSA-N
[SMILES]

C(C#N)CC(C#N)CCCC#N
[LogP]

-0.34 at 30℃
[EPA Substance Registry System]

1,3,6-Hexanetricarbonitrile (1772-25-4)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/22
[Safety Statements ]

23-36
[RIDADR ]

3276
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Hazardous Substances Data]

1772-25-4(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

1,3,6-Hexanetricarbonitrile is mainly used as an intermediate in organic synthesis, as a high boiling point solvent and as an additive to electrolytes.
[Flammability and Explosibility]

Notclassified
[Synthesis]

Preparation of 1,3,6-hexanetricarbonitrile: To a solution of 1,6-dicyano-2-butylene (1,6-dicyano-2-butylene) ) And HCI methyl alcohol solution were reacted at 40-60 ° C for 4-6h, NaCN was added and the reaction was carried out at 40-101 ° C to obtain 1,3,6-hexanetricarbonitrile.
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