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1,3,6-Hexanetricarbonitrile

1,3,6-Hexanetricarbonitrile structure

CAS No:
1772-25-4
Formula:
C9H11N3
Chemical Name:
1,3,6-Hexanetricarbonitrile
Synonyms:
1,3,6-Hexanetricarbonitrile;1,3,6-Tricyanohexane
Categories:
Organic Chemistry > Coordination Complexes

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1,3,6-Hexanetricarbonitrile Basic Attributes

Molecular Weight：

161.20 g/mol

Exact Mass：

161.20

EC Number：

217-199-7

DSSTox ID：

DTXSID4041234

Characteristics

PSA：

71.4 Å²

Boiling Point：

186-200 °C @ Press: 0.2 Torr

Safety Information

GHS Classification：

|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,3,6-Hexanetricarbonitrile Use and Manufacturing

Methods of Manufacturing

REACTION OF 1,3,6-TRICHLOROHEXANE WITH SODIUM CYANIDE (LABORATORY SYNTHESIS)

Uses

NO EVIDENCE OF COMMERCIAL USE IN U.S.

Production

(1979) NOT PRODUCED COMMERCIALLY IN U.S.|(1981) NOT PRODUCED COMMERCIALLY IN U.S.

Manufacturing Info：

1,3,6-Hexanetricarbonitrile: ACTIVE

Computed Properties

Molecular Weight:161.20
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:161.095297364
Monoisotopic Mass:161.095297364
Topological Polar Surface Area:71.4
Heavy Atom Count:12
Complexity:253
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,6-Hexanetricarbonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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