Cas no 57373-20-3 (Calcium,dichloro(2-methyl-3(2H)-isothiazolone-O)- (9CI))
57373-20-3 structure
Product Name:Calcium,dichloro(2-methyl-3(2H)-isothiazolone-O)- (9CI)
CAS No:57373-20-3
MF:C4H5CaCl2NOS
MW:226.137596845627
CID:373467
PubChem ID:42294
Update Time:2025-04-19
Calcium,dichloro(2-methyl-3(2H)-isothiazolone-O)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Calcium,dichloro(2-methyl-3(2H)-isothiazolone-O)- (9CI)
- 2-Methyl-3(2H)-isothiazolone, calcium chloride complex
- calcium,2-methyl-1,2-thiazol-3-one,dichloride
- EPA Pesticide Chemical Code 107102
- 2-Methyl-4-isothiazolin-3-one calcium chloride
- RH 651 calcium chloride
- Caswell No. 195C
- Calcium, dichloro(2-methyl-3(2H)-isothiazolone-O)-
- 57373-20-3
- RH-651 CALCIUM CHLORIDE
- UNII-VHI00378X9
- RH 30
- RH-30
- VHI00378X9
- calcium;2-methyl-1,2-thiazol-3-one;dichloride
- Microbiocide 886
- Q27291839
-
- Inchi： 1S/C4H5NOS.Ca.2ClH/c1-5-4(6)2-3-7-5;;;/h2-3H,1H3;;2*1H/q;+2;;/p-2
- InChI Key： ZNUJLBVUZKNDOW-UHFFFAOYSA-L
- SMILES： [Ca+2].[Cl-].[Cl-].S1C=CC(N1C)=O
Computed Properties
- Exact Mass: 224.90965
- Monoisotopic Mass: 224.909481
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 121
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 45.6
Experimental Properties
- Boiling Point: 182.8°Cat760mmHg
- Flash Point: 64.3°C
- PSA: 20.31
Calcium,dichloro(2-methyl-3(2H)-isothiazolone-O)- (9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jason Wan Lab Chip, 2020,20, 4528-4538
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