(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC

Modify Date: 2026-07-31 09:34:57

(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure
(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC structure
Common Name (1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC
CAS Number 52188-11-1 Molecular Weight 241.22100
Density 1.665g/cm3 Boiling Point 514ºC at 760 mmHg
Molecular Formula C9H7NO5S Melting Point N/A
MSDS N/A Flash Point 264.7ºC

 Names

Name 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid

 Chemical & Physical Properties

Density 1.665g/cm3
Boiling Point 514ºC at 760 mmHg
Molecular Formula C9H7NO5S
Molecular Weight 241.22100
Flash Point 264.7ºC
Exact Mass 241.00400
PSA 100.13000
LogP 0.93440
Index of Refraction 1.653
InChIKey MQAZHTHFEBUHCD-UHFFFAOYSA-N
SMILES O=C(O)CN1C(=O)c2ccccc2S1(=O)=O

 Safety Information

HS Code 2934999090

 Synthetic Route

~86%

(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

CAS#:52188-11-1

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Literature: D'Ascenzio, Melissa; Carradori, Simone; De Monte, Celeste; Secci, Daniela; Ceruso, Mariangela; Supuran, Claudiu T. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 6 p. 1821 - 1831

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(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

CAS#:52188-11-1

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Literature: Chiesi Farmaceutici S.p.A.; ARMANI, Elisabetta; Amari, Gabriele; Capaldi, Carmelida; Carzaniga, Laura; La Porta, Elena; Guala, Matilde Patent: US2013/102576 A1, 2013 ;

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(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

CAS#:52188-11-1

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Literature: Wrobel, Jay; Dietrich, Arlene; Woolson, Shiela A.; Millen, Jane; McCaleb, Michael; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 24 p. 4613 - 4627

~54%

(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

CAS#:52188-11-1

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Literature: Soubh; Besch; Otto, Hans-Hartwig Pharmazie, 2002 , vol. 57, # 6 p. 384 - 392

~56%

(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

CAS#:52188-11-1

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Literature: Arief Phosphorus, Sulfur and Silicon and Related Elements, 1996 , vol. 114, # 1-4 p. 129 - 134

~%

(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

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Literature: Abe; Yamamoto Yakugaku Zasshi, 1953 , vol. 73, p. 1322,1325 Chem.Abstr., 1955 , p. 177

~%

(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

CAS#:52188-11-1

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Literature: Reddy, Yervala D.; Kumar, Padam P.; Devi, Bhoomireddy R.; Dubey, Pramod K.; Kumari, Yalamanchili B. Letters in Organic Chemistry, 2013 , vol. 10, # 1 p. 70 - 76

~%

(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC Structure

(1,1,2,3,3,3-HE...

CAS#:52188-11-1

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Literature: Miao, Lei; Xu, Liang; Narducy, Kenneth W.; Trudell, Mark L. Organic Process Research and Development, 2009 , vol. 13, # 4 p. 820 - 822

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: Selectivity ratio of Ki for human carbonic anhydrase 1 to Ki for human carbonic anhyd...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3129536
Name: Selectivity ratio of Ki for human carbonic anhydrase 2 to Ki for human carbonic anhyd...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3129537
Name: Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3129538
Name: Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL3129539
Name: Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL3129540
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL3129541
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
Name: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by sto...
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3762504
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