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ChemicalBook--->CAS DataBase List--->629-08-3

629-08-3

629-08-3 Structure

629-08-3 Structure
IdentificationMore
[Name]

3-PHENYLPROPIONITRILE
[CAS]

629-08-3
[Synonyms]

1-CYANOHEXANE
1-HEPTANENITRILE
1-HEPTANITRILE
1-HEPTANONITRILE
3-PHENYLPROPIONITRILE
BETA-PHENYL PROPIONITRILE
B-PHENYLETHYL CYANIDE
ENANTHONITRILE
HEPTANENITRILE
HEPTANONITRILE
HYDROCINNAMONITRILE
N-HEPTANENITRILE
N-HEPTANOIC ACID NITRILE
N-HEXYL CYANIDE
OENANTHIC ACID NITRILE
heptane-1-nitrile
Heptansαurenitril
heptyl nitrile
Enanthonitrile~Heptanonitrile~n-Hexylcyanide
1-Heptanonitrile,98%
[EINECS(EC#)]

211-447-8
[Molecular Formula]

C9H9N
[MDL Number]

MFCD00001961
[Molecular Weight]

131.17
[MOL File]

629-08-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

-64 °C
[Boiling point ]

186-187 °C(lit.)
[density ]

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

n20/D 1.521(lit.)
[Fp ]

137 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Water Solubility ]

Slightly soluble in water.
[BRN ]

1740405
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[LogP]

2.214 (est)
[CAS DataBase Reference]

629-08-3(CAS DataBase Reference)
[EPA Substance Registry System]

Heptanenitrile (629-08-3)
Safety DataBack Directory
[Hazard Codes ]

T,Xn
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful 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) .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 3276 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

MW5604750
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29269095
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

The Heptanenitrile is used for producing 2, 3, 5, 6-tetrahexyl-pyrazine. As intermediates.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 100, p. 3240, 1978 DOI: 10.1021/ja00478a060
The Journal of Organic Chemistry, 54, p. 2249, 1989 DOI: 10.1021/jo00270a044
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENYLPROPIONITRILE(629-08-3)MS
3-PHENYLPROPIONITRILE(629-08-3)1HNMR
3-PHENYLPROPIONITRILE(629-08-3)13CNMR
3-PHENYLPROPIONITRILE(629-08-3)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Heptanenitrile, 98%(629-08-3)
[Alfa Aesar]

Heptanenitrile, 98%(629-08-3)
[Sigma Aldrich]

629-08-3(sigmaaldrich)
[TCI AMERICA]

Heptanenitrile,>97.0%(GC)(629-08-3)
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