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ChemicalBook--->CAS DataBase List--->124-12-9

124-12-9

124-12-9 Structure

124-12-9 Structure
IdentificationMore
[Name]

OCTANENITRILE
[CAS]

124-12-9
[Synonyms]

1-CYANOHEPTANE
CAPRYLIC ACID NITRILE
CAPRYLONITRILE
HEPTYL CYANIDE
N-HEPTYL CYANIDE
N-OCTANENITRILE
N-OCTANONITRILE
N-OCTYL NITRILE
OCTANENITRILE
OCTANOIC ACID NITRILE
OCTANONITRILE
OCTYL NITRILE
1-Cyanheptan
Arneel 8
arneel8
Caprylnitrile
Caprylonitril
Caprylsαurenitril
Heptylcyanid
n-Octansαurenitril
[EINECS(EC#)]

204-682-2
[Molecular Formula]

C8H15N
[MDL Number]

MFCD00001983
[Molecular Weight]

125.21
[MOL File]

124-12-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

−45 °C(lit.)
[Boiling point ]

198-200 °C(lit.)
[density ]

0.814 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.42(lit.)
[Fp ]

165 °F
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 10.00 % in dipropylene glycol. fatty aldehydic green
[Odor Type]

aldehydic
[BRN ]

1744063
[Dielectric constant]

13.9(25℃)
[LogP]

2.750
[CAS DataBase Reference]

124-12-9(CAS DataBase Reference)
[EPA Substance Registry System]

Octanenitrile (124-12-9)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

3276
[WGK Germany ]

2
[RTECS ]

RG9700300
[TSCA ]

Yes
[HS Code ]

2926.90.5050
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Toxicity]

LD50 orl-mus: 1764 mg/kg ARTODN 55,47,84
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

octanenitrile(124-12-9).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

Heptyl cyanide (Caprylonitrile) was used as a solvent to study the intermediates in the decomposition of aliphatic diazo-compounds.
[Uses]

Octanenitrile is a reagent often used in the preparation of amides by hydration using amorphous manganese oxide catalyst in the presence of reduced amounts of water.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 64, p. 3544, 1999 DOI: 10.1021/jo982317b
Tetrahedron Letters, 17, p. 255, 1976 DOI: 10.1016/S0040-4039(00)93701-8
Chemical and Pharmaceutical Bulletin, 11, p. 296, 1963 DOI: 10.1248/cpb.11.296
[Safety Profile]

Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and CNí.
[Purification Methods]

Wash the nitrile twice with half-volumes of conc HCl, then with saturated aqueous NaHCO3, dry over MgSO4, filter and distil it. [Beilstein 2 H 349, 2 I 148, 2 II 303, 2 III 798, 2 IV 993.]
Spectrum DetailBack Directory
[Spectrum Detail]

OCTANENITRILE(124-12-9)MS
OCTANENITRILE(124-12-9)1HNMR
OCTANENITRILE(124-12-9)13CNMR
OCTANENITRILE(124-12-9)IR1
OCTANENITRILE(124-12-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Heptyl cyanide, 97%(124-12-9)
[Alfa Aesar]

Octanonitrile, 97%(124-12-9)
[Sigma Aldrich]

124-12-9(sigmaaldrich)
[TCI AMERICA]

Octanenitrile,>97.0%(GC)(124-12-9)
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