2-tert-Butyl-5-chloro-isothiazol-3-one

Modify Date: 2024-04-02 07:20:53

2-tert-Butyl-5-chloro-isothiazol-3-one Structure
2-tert-Butyl-5-chloro-isothiazol-3-one structure
Common Name 2-tert-Butyl-5-chloro-isothiazol-3-one
CAS Number 850314-47-5 Molecular Weight 223.677
Density 1.4±0.1 g/cm3 Boiling Point 298.3±50.0 °C at 760 mmHg
Molecular Formula C7H10ClNO3S Melting Point N/A
MSDS N/A Flash Point 134.2±30.1 °C

 Names

Name 2-tert-butyl-5-chloro-1,1-dioxo-1,2-thiazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 298.3±50.0 °C at 760 mmHg
Molecular Formula C7H10ClNO3S
Molecular Weight 223.677
Flash Point 134.2±30.1 °C
Exact Mass 223.006989
PSA 62.83000
LogP 0.15
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.556
Storage condition 2-8°C

 Synthetic Route

~40%

2-tert-Butyl-5-chloro-isothiazol-3-one Structure

2-tert-Butyl-5-...

CAS#:850314-47-5

Literature: Combs, Andrew P.; Yue, Eddy W.; Bower, Michael; Ala, Paul J.; Wayland, Brian; Douty, Brent; Takvorian, Amy; Polam, Padmaja; Wasserman, Zelda; Zhu, Wenyu; Crawley, Matthew L.; Pruitt, James; Sparks, Richard; Glass, Brian; Modi, Dilip; McLaughlin, Erin; Bostrom, Lori; Li, Mei; Galya, Laurine; Blom, Karl; Hillman, Milton; Gonneville, Lucie; Reid, Brian G.; Wei, Min; Becker-Pasha, Mary; Klabe, Ronald; Huber, Reid; Li, Yanlong; Hollis, Gregory; Burn, Timothy C.; Wynn, Richard; Liu, Phillip; Metcalf, Brian Journal of Medicinal Chemistry, 2005 , vol. 48, # 21 p. 6544 - 6548

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

5-Chloro-2-(2-methyl-2-propanyl)-1,2-thiazol-3(2H)-one 1,1-dioxide
2-(tert-Butyl)-5-chloroisothiazol-3(2H)-one
2-tert-butyl-5-chloro-isothiazolin-3-one-1,1-dioxide
FD6048
2-tert-Butyl-5-chloro-isothiazol-3-one
2-tert-Butyl-5-chloro-1,2-thiazol-3(2H)-one 1,1-dioxide
2-TERT-BUTYL-5-CHLORO-1,1-DIOXOISOTHIAZOL-3(2H)-ONE
3(2H)-Isothiazolone, 5-chloro-2-(1,1-dimethylethyl)-, 1,1-dioxide
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