Cas no 139649-54-0 (1H-Pyrazole-1-methanol, 4-iodo-3,5-dimethyl-)
139649-54-0 structure
Product Name:1H-Pyrazole-1-methanol, 4-iodo-3,5-dimethyl-
CAS No:139649-54-0
MF:C6H9IN2O
MW:252.052933454514
CID:1277520
Update Time:2024-08-04
1H-Pyrazole-1-methanol, 4-iodo-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-1-methanol, 4-iodo-3,5-dimethyl-
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- Inchi： 1S/C6H9IN2O/c1-4-6(7)5(2)9(3-10)8-4/h10H,3H2,1-2H3
- InChI Key： UCSZNVHUYPBVCG-UHFFFAOYSA-N
- SMILES： N1(CO)C(C)=C(I)C(C)=N1
Computed Properties
- Exact Mass: 251.97557
Experimental Properties
- Density: 1.95±0.1 g/cm3(Predicted)
- Melting Point: 101-103 °C
- Boiling Point: 303.9±42.0 °C(Predicted)
- PSA: 38.05
- pka: 12.99±0.10(Predicted)
1H-Pyrazole-1-methanol, 4-iodo-3,5-dimethyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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