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27472-21-5

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27472-21-5 Structure

27472-21-5 Structure
IdentificationMore
[Name]

3,4-Diethoxyphenylacetonitrile
[CAS]

27472-21-5
[Synonyms]

2-(3,4-DIETHOXYPHENYL)ACETONITRILE
3,4-DIETHOXYBENZENE ACETONITRILE
3,4-DIETHOXYPHENYLACETONITRILE
AKOS B016114
ART-CHEM-BB B016114
[EINECS(EC#)]

248-479-7
[Molecular Formula]

C12H15NO2
[MDL Number]

MFCD00060715
[Molecular Weight]

205.25
[MOL File]

27472-21-5.mol
Chemical PropertiesBack Directory
[Melting point ]

33-35°C
[Boiling point ]

130°C 1mm
[density ]

1.043±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3
[InChIKey]

OBDKFHFLERWBBI-UHFFFAOYSA-N
[SMILES]

C1(CC#N)=CC=C(OCC)C(OCC)=C1
[CAS DataBase Reference]

27472-21-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetonitrile, 3,4-diethoxy-(27472-21-5)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21:Harmful by inhalation and in contact with skin .
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3439
[REACH Registrations]

Active
[HazardClass ]

IRRITANT, IRRITANT-HARMFUL
Hazard InformationBack Directory
[Uses]

3,4-Diethoxyphenylacetonitrile is used as an intermediate for drotaverine.
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Diethoxyphenylacetonitrile(27472-21-5)1HNMR
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