CAS No.629-40-3,1,8-Octanedinitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	629-40-3
Name:	1,8-Octanedinitrile
Article Data:	38

Formula:	C₈H₁₂N₂
Molecular Weight:	136.197
Synonyms:	Suberonitrile(6CI,7CI,8CI);D 7800-8;NSC 51242;Suberic acid dinitrile;Octanedinitrile;
EINECS:	211-089-2
Density:	0.954 g/cm³
Melting Point:	-3.5 °C
Boiling Point:	320.4 °C at 760 mmHg
Flash Point:	146.2 °C
Solubility:	1.2 g/100 mL in water
Appearance:	clear yellow liquid
Hazard Symbols:	T
Risk Codes:	23/24/25
Safety:	36/37/39-45-23
Transport Information:	UN 3276 6.1/PG 2
PSA:	47.58000
LogP:	2.37416

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Suberonitrile, also known as 1,6-Dicyanohexane, is an organic compound with the formula C₈H₁₂N₂. It belongs to the product categories of Industrial/Fine Chemicals; Dinitriles; Dinitriles & Trinitriles. Its EINECS registry number is 211-089-2. With the CAS registry number 629-40-3, its IUPAC name is octanedinitrile. Moreover, this chemical is a clear yellow liquid. It's used in organic synthesis. The product should be sealed and stored in cool and dry place. What's more, it should be protected from oxides.

Physical properties of Suberonitrile: (1)ACD/LogP: 0.48; (2)ACD/LogD (pH 5.5): 0.48; (3)ACD/LogD (pH 7.4): 0.48; (4)ACD/BCF (pH 5.5): 1.35; (5)ACD/BCF (pH 7.4): 1.35; (6)ACD/KOC (pH 5.5): 43.22; (7)ACD/KOC (pH 7.4): 43.22; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 38.93 cm³; (13)Molar Volume: 147.3 cm³; (14)Surface Tension: 38.4 dyne/cm; (15)Density: 0.924 g/cm³; (16)Flash Point: 146.2 °C; (17)Enthalpy of Vaporization: 56.21 kJ/mol; (18)Boiling Point: 320.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000319 mmHg at 25°C.

Preparation: this chemical can be prepared by octane-1,8-diamine. This reaction will need reagent KOH and solvents 2-methyl-propan-2-ol, H₂O. The reaction time is 4 hours with reaction temperature of 40 °C. The yield is about 94%.

Suberonitrile can be prepared by octane-1,8-diamine

Uses of Suberonitrile: it can be used to produce octanedioic acid at 100 °C. This reaction will need reagent concentrated hydrochloric acid.

Suberonitrile can be used to produce octanedioic acid at 100 °C

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is toxic by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCCC#N)CCC#N
(2)InChI: InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2
(3)InChIKey: BTNXBLUGMAMSSH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
cat	LD50	oral	25mg/kg (25mg/kg)	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse	LD50	oral	307mg/kg (307mg/kg)	Archives of Toxicology. Vol. 57, Pg. 88, 1985.
rabbit	LD50	oral	25mg/kg (25mg/kg)	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat	LD50	oral	150mg/kg (150mg/kg)	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.