Cas no 162640-69-9 (1H-Pyrazole-4-carbonyl chloride, 3,5-dichloro-1-methyl-)
162640-69-9 structure
Product Name:1H-Pyrazole-4-carbonyl chloride, 3,5-dichloro-1-methyl-
CAS No:162640-69-9
MF:C5H3Cl3N2O
MW:213.449117898941
CID:1342551
PubChem ID:22169499
Update Time:2025-04-20
1H-Pyrazole-4-carbonyl chloride, 3,5-dichloro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carbonyl chloride, 3,5-dichloro-1-methyl-
- 3,5-dichloro-1-methylpyrazole-4-carbonyl chloride
- KGVFEWGBMAYCDH-UHFFFAOYSA-N
- SCHEMBL3180569
- DTXSID80623150
- 3,5-dichloro-1-methylpyrazole-4-carboxylic acid chloride
- 162640-69-9
- 1-methyl-3,5-dichloropyrazole-4-carbonyl chloride
- 3,5-Dichloro-1-methyl-1H-pyrazole-4-carbonyl chloride
-
- Inchi： 1S/C5H3Cl3N2O/c1-10-4(7)2(5(8)11)3(6)9-10/h1H3
- InChI Key： KGVFEWGBMAYCDH-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)Cl)C(=NN1C)Cl
Computed Properties
- Exact Mass: 211.93129
- Monoisotopic Mass: 211.931096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Pyrazole-4-carbonyl chloride, 3,5-dichloro-1-methyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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