ChemicalBook--->CAS DataBase List--->629-40-3

629-40-3

629-40-3 Structure

629-40-3 Structure
IdentificationMore
[Name]

1,8-Octanedinitrile
[CAS]

629-40-3
[Synonyms]

1,6-DICYANOHEXANE
1,8-OCTANEDINITRILE
DICYANOHEXANE
HEXAMETHYLENE DICYANIDE
HEXANE-1,6-DICARBOXYLIC ACID DINITRILE
OCTAMETHYLENE DINITRILE
OCTANEDINITRILE
OCTANEDIOIC ACID DINITRILE
SUBERODINITRILE
SUBERONITRILE
ai3-33237
Hexamethylenedinitrile
Hexane-1,6-dicyanide
korksaeuredinitril
nsc51242
subericaciddinitrile
1,6-Dicyanohexane,99%
Octandinitril
Hexamethylene dicyanide, Octanedinitrile
Hexamethylene dicyanide, Octanedinitrile, Suberonitrile
[EINECS(EC#)]

211-089-2
[Molecular Formula]

C8H12N2
[MDL Number]

MFCD00001981
[Molecular Weight]

136.19
[MOL File]

629-40-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

-3.5 °C
[Boiling point ]

185 °C15 mm Hg(lit.)
[density ]

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

0.053Pa at 20℃
[refractive index ]

n20/D 1.444(lit.)
[Fp ]

175 °C
[storage temp. ]

Store below +30°C.
[solubility ]

7g/l insoluble
[form ]

Liquid
[color ]

Clear yellow
[Odor]

at 10.00 % in dipropylene glycol. fresh sweet waxy floral citrus mandarin
[explosive limit]

8.5-29%(V)
[Odor Type]

waxy
[Water Solubility ]

1.2 g/100 mL
[BRN ]

1744365
[InChI]

1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2
[InChIKey]

BTNXBLUGMAMSSH-UHFFFAOYSA-N
[SMILES]

N#CCCCCCCC#N
[LogP]

0.56 at 25℃
[CAS DataBase Reference]

629-40-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Octanedinitrile(629-40-3)
[EPA Substance Registry System]

629-40-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 3276 6.1/PG 2
[WGK Germany ]

1
[RTECS ]

WM2131000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
[Toxicity]

LD50 orl-mus: 307 mg/kg ARTODN 57,88,85
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl sulfoxide-->1,6-Dibromohexane-->7-Bromoheptanenitrile-->Sodium cyanide
[Preparation Products]

1,6-Diamidinohexane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,8-Octanedinitrile(629-40-3).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

1,6-Dicyanohexane can be used as a reagent to synthesize heterocylic organic molecules.
[Flammability and Explosibility]

Nonflammable
[Safety Profile]

Poison by ingestion. When heatedto decomposition it emits toxic vapors of NOx and CNí.
Spectrum DetailBack Directory
[Spectrum Detail]

1,8-Octanedinitrile(629-40-3)MS
1,8-Octanedinitrile(629-40-3)1HNMR
1,8-Octanedinitrile(629-40-3)13CNMR
1,8-Octanedinitrile(629-40-3)IR1
1,8-Octanedinitrile(629-40-3)IR2
1,8-Octanedinitrile(629-40-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,6-Dicyanohexane, 99%(629-40-3)
[Alfa Aesar]

1,6-Dicyanohexane, 99%(629-40-3)
[Sigma Aldrich]

629-40-3(sigmaaldrich)
[TCI AMERICA]

Suberonitrile,>98.0%(GC)(629-40-3)
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