83395-38-4

Name 1H-Imidazole-1-carboxylicacid,2-propynylester(9CI)
CAS 83395-38-4
EINECS(EC#) 695-595-2
Molecular Formula C7H6N2O2
MDL Number MFCD18830798
Molecular Weight 150.13
MOL File 83395-38-4.mol
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Chemical Properties

Melting point  45-50°C
Boiling point  255.5±42.0 °C(Predicted)
density  1.11±0.1 g/cm3(Predicted)
vapor pressure  0.1-1Pa at 20-40℃
Fp  >110℃
storage temp.  2-8°C
form  solid
pka 3.01±0.10(Predicted)
Appearance Off-white to light yellow Solid
InChI InChI=1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2
InChIKey LLVCOZOEWQQTAV-UHFFFAOYSA-N
SMILES C1N(C(OCC#C)=O)C=CN=1
LogP 0.8-1.03 at 25-30℃ and pH2-8

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
REACH Registrations Active
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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