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35276-81-4

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35276-81-4 Structure

35276-81-4 Structure
IdentificationBack Directory
[Name]

3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE
[CAS]

35276-81-4
[Synonyms]

Benzenepropanenitrile, 2-Methyl-b-oxo-
Benzenepropanenitrile, 2-methyl-β-oxo-
JR-8667, 3-Oxo-3-o-tolylpropanenitrile, 97%
[EINECS(EC#)]

233-305-4
[Molecular Formula]

C10H9NO
[MDL Number]

MFCD02260802
[MOL File]

35276-81-4.mol
[Molecular Weight]

159.18
Chemical PropertiesBack Directory
[Melting point ]

81-82 °C
[Boiling point ]

310.9±25.0 °C(Predicted)
[density ]

1.081±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

7.73±0.10(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

1S/C10H9NO/c1-8-4-2-3-5-9(8)10(12)6-7-11/h2-5H,6H2,1H3
[InChIKey]

DMTQMHCHBQZTOJ-UHFFFAOYSA-N
[SMILES]

N#CCC(C1=CC=CC=C1C)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H312-H335-H319-H332-H302-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
[WGK Germany ]

WGK 3
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE(35276-81-4)1HNMR
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