Cas no 27006-83-3 (5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride)
27006-83-3 structure
Product Name:5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride
CAS No:27006-83-3
MF:C6H6Cl2N2O
MW:193.0306391716
CID:872142
PubChem ID:11745492
Update Time:2025-04-19
5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride
- 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride
- 1H-pyrazole-4-carbonyl chloride, 5-chloro-1,3-dimethyl-
- LogP
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- Inchi： 1S/C6H6Cl2N2O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3
- InChI Key： WIWMMJPXRWAZBB-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)Cl)C(C)=NN1C
Computed Properties
- Exact Mass: 191.98588
- Monoisotopic Mass: 191.9857182g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 2.1
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- Density: 1.48±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 268.7±35.0 oC (760 Torr),
- Flash Point: 116.3±25.9 oC,
- Refractive Index: 1.597
- Solubility: Slightly soluble (17 g/l) (25 o C),
- PSA: 34.89
5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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