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Octanedinitrile

Octanedinitrile structure

CAS No:
629-40-3
Formula:
C8H12N2
Chemical Name:
Octanedinitrile
Synonyms:
Octanedinitrile;Suberonitrile;1,6-Dicyanohexane;Suberic acid dinitrile;D 7800-8;NSC 51242;Hexamethylene dicyanide
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow liquid

Octanedinitrile Basic Attributes

Molecular Weight：

136.19

Exact Mass：

136.19

BRN：

1744365

EC Number：

211-089-2

UNII：

JNT1LXA02U

NSC Number：

51242

DSSTox ID：

DTXSID7022097

HScode：

29269095

Characteristics

PSA：

47.58000

XLogP3：

0.48

Appearance：

Clear yellow Liquid

Density：

0.940 g/cm³ @ Temp: 22 °C

Melting Point：

-3.5 °C

Boiling Point：

185 °C

Flash Point：

175 °C

Refractive Index：

1.441

Water Solubility：

H2O: 1.2 g/100 mL

Storage Conditions：

Store below +30°C.

Toxicity：

Oral-rat LD50：150 mg/kg；Oral-Mouse LD50: 307 mg/kg

Flammability characteristics：

Combustible in case of open flame; burning produces toxic nitrogen oxides

Explosive limit：

8.5-29%(V)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 2

wgk germany：

hazard class code：

23/24/25

safety instructions：

36/37/39-45-23

RTECS Number：

WM2131000

Marks：

Storage features：

The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P301 + P310-P311

Hazard Statements：

H301-H311-H331

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 187 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

suberonitrile

Octanedinitrile Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of 1, 6-dibromohexane and sodium cyanide. Stir and mix the baked sodium cyanide powder and anhydrous dimethyl sulfoxide, and heat to 60°C. After the addition is complete, heat up to 90°C, continue stirring for about half an hour, cool the mixture to 30°C, add chloroform and pour into saturated sodium chloride solution, add water until the inorganic salt is completely dissolved, separate the organic phase and the water phase Extract once with chloroform. The extract and the organic phase were combined and washed twice with saturated sodium chloride solution. After drying over anhydrous magnesium sulfate, first recover the chloroform, and then distill under reduced pressure to collect the 184-186°C (2.0kPa) fraction, which is suberonitrile.

Uses

Used in organic synthesis.

Manufacturing Info：

Octanedinitrile: ACTIVE

Computed Properties

Molecular Weight:136.19
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:136.100048391
Monoisotopic Mass:136.100048391
Topological Polar Surface Area:47.6
Heavy Atom Count:10
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylonitrile

Sebacic acid

Dimethyl sulfoxide

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