Cas no 91979-38-3 (1-chloromethyl-3,5-dimethyl-1H-pyrazole hydrochloride)
91979-38-3 structure
Product Name:1-chloromethyl-3,5-dimethyl-1H-pyrazole hydrochloride
CAS No:91979-38-3
MF:C6H10Cl2N2
MW:181.062999248505
CID:2139101
PubChem ID:13692727
Update Time:2025-04-21
1-chloromethyl-3,5-dimethyl-1H-pyrazole hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1-chloromethyl-3,5-dimethyl-1H-pyrazole hydrochloride
- UVQVGMPGJXESPP-UHFFFAOYSA-N
- 1-Chloromethyl-3,5-dimethyl-1H-pyrazole; hydrochloride
- SCHEMBL464810
- 1-(chloromethyl)-3,5-dimethyl-1H-pyrazole hydrochloride
- 1-chloromethyl-3,5-dimethylpyrazole hydrochloride
- DB-301386
- 91979-38-3
-
- Inchi： 1S/C6H9ClN2.ClH/c1-5-3-6(2)9(4-7)8-5;/h3H,4H2,1-2H3;1H
- InChI Key： UVQVGMPGJXESPP-UHFFFAOYSA-N
- SMILES： ClCN1C(C)=CC(C)=N1.Cl
Computed Properties
- Exact Mass: 180.0221037Da
- Monoisotopic Mass: 180.0221037Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 97.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.8?2
1-chloromethyl-3,5-dimethyl-1H-pyrazole hydrochloride Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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