3-(DIFLUOROMETHYL)-1-FLUOROBENZENE

Modify Date: 2026-08-02 20:52:12

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure
3-(DIFLUOROMETHYL)-1-FLUOROBENZENE structure
Common Name 3-(DIFLUOROMETHYL)-1-FLUOROBENZENE
CAS Number 28059-24-7 Molecular Weight 235.23600
Density 1.252g/cm3 Boiling Point 390.2ºC at 760 mmHg
Molecular Formula C12H13NO4 Melting Point N/A
MSDS N/A Flash Point 189.8ºC

Summary: Methyl 5,6-dimethoxy-1H-indole-2-carboxylate (CAS number: 28059-24-7) is a compound with molecular formula C12H13NO4 and molecular weight 235.24. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name Methyl 5,6-dimethoxy-1H-indole-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.252g/cm3
Boiling Point 390.2ºC at 760 mmHg
Molecular Formula C12H13NO4
Molecular Weight 235.23600
Flash Point 189.8ºC
Exact Mass 235.08400
PSA 60.55000
LogP 1.97170
Vapour Pressure 2.69E-06mmHg at 25°C
Index of Refraction 1.593
InChIKey SBCKSKZNFJUHAQ-UHFFFAOYSA-N
SMILES COC(=O)c1cc2cc(OC)c(OC)cc2[nH]1

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~88%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

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Literature: Bonnamour, Julien; Bolm, Carsten Organic Letters, 2011 , vol. 13, # 8 p. 2012 - 2014

~63%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

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Literature: Huleatt, Paul B.; Lau, Jacelyn; Chua, Sheena; Tan, Yun Lei; Duong, Hung Anh; Chai, Christina L.L. Tetrahedron Letters, 2011 , vol. 52, # 12 p. 1339 - 1342

~78%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

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Literature: The Scripps Research Institute Patent: US2005/26987 A1, 2005 ; Location in patent: Page 20 ;

~%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

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Literature: Coowar, Djalil; Bouissac, Julien; Hanbali, Mazen; Paschaki, Marie; Mohier, Eliane; Luu, Bang Journal of Medicinal Chemistry, 2004 , vol. 47, # 25 p. 6270 - 6282

~60%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

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Literature: Vieira, Tiago O.; Meaney, Laura A.; Shi, Yong-Ling; Alper, Howard Organic Letters, 2008 , vol. 10, # 21 p. 4899 - 4901

~59%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

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Literature: Zhu, Zhiqiang; Yuan, Jiangjun; Zhou, Yirong; Qin, Yang; Xu, Jingshi; Peng, Yiyuan European Journal of Organic Chemistry, 2014 , vol. 2014, # 3 p. 511 - 514

~%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

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Literature: Gauden; Pezzella; Panzella; Neves-Petersen; Skovsen; Petersen; Mullen; Napolitano; D'Ischia; Sundstroem Journal of the American Chemical Society, 2008 , vol. 130, # 50 p. 17038 - 17043

~%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

Learn More
Literature: Huleatt, Paul B.; Lau, Jacelyn; Chua, Sheena; Tan, Yun Lei; Duong, Hung Anh; Chai, Christina L.L. Tetrahedron Letters, 2011 , vol. 52, # 12 p. 1339 - 1342

~%

3-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

3-(DIFLUOROMETH...

CAS#:28059-24-7

Learn More
Literature: Bunker, Amy M.; Edmunds, Jeremy J.; Berryman, Kent A.; Walker, Donnelle M.; Flynn, Michael A.; Welch, Kathy M.; Doherty, Annette M. Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 9 p. 1061 - 1066

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

methyl 5,6-dimethoxy-1h-indole-2-carboxylate

 3-(DIFLUOROMETHYL)-1-FLUOROBENZENE | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: CAS number of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is 28059-24-7.
Q: What English synonyms does Methyl 5,6-dimethoxy-1H-indole-2-carboxylate have?
A: English synonyms of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate: methyl 5,6-dimethoxy-1h-indole-2-carboxylate.
Q: What is the LogP of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: LogP of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is 1.97170.
Q: What is the boiling point of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: Boiling point of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is 390.2ºC at 760 mmHg.
Q: What is the molecular weight of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: Molecular weight of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is 235.23600.
Q: What is the molecular formula of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: Molecular formula of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is C12H13NO4.
Q: What is the English name of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: The English name of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is Methyl 5,6-dimethoxy-1H-indole-2-carboxylate.
Q: What is the polar surface area (PSA) of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: Polar surface area (PSA) of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is 60.55000.
Q: What is the InChIKey of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: InChIKey of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is SBCKSKZNFJUHAQ-UHFFFAOYSA-N.
Q: What is the SMILES notation of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate?
A: SMILES notation of Methyl 5,6-dimethoxy-1H-indole-2-carboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2[nH]1.

 3-(DIFLUOROMETHYL)-1-FLUOROBENZENEfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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