35276-81-4

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35276-81-4 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] 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 Detail	Back Directory
[Spectrum Detail] 3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE(35276-81-4)¹HNMR

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