35276-81-4

Name 3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE
CAS 35276-81-4
EINECS(EC#) 233-305-4
Molecular Formula C10H9NO
MDL Number MFCD02260802
Molecular Weight 159.18
MOL File 35276-81-4.mol
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Chemical Properties

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

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 Detail

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