Shanghai Minbiotech

CAS 127852-28-2

Chemistry, 3 End Use API, 10 Related Intermediates

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Also known as: 127852-28-2, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol, (1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol, (r)-1-(3,5-bis-trifluoromethyl-phenyl)-ethanol, (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol

Molecular Formula

C₁₀H₈F₆O

Molecular Weight

258.16 g/mol

InChI Key

MMSCIQKQJVBPIR-RXMQYKEDSA-N

1 2D Structure

CAS 127852-28-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol

2.1.2 InChI

InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1

2.1.3 InChI Key

MMSCIQKQJVBPIR-RXMQYKEDSA-N

2.1.4 Canonical SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O

2.1.5 Isomeric SMILES

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 127852-28-2

2. (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol

3. (1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol

4. (r)-1-(3,5-bis-trifluoromethyl-phenyl)-ethanol

5. (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol

6. (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol

7. Mfcd03093010

8. (r)-1-(3,5-bis-trifluoromethylphenyl)ethanol

9. Schembl265045

10. Amy369

11. Dtxsid80381243

12. Bcp27255

13. Cs-d0702

14. Zinc2382862

15. Akos005063416

16. Akos010366354

17. Ac-6709

18. As-19515

19. (1r)-3,5-bis(trifluoromethyl)phenylethanol

20. B4131

21. (r)-[3,5-bis(trifluoromethyl)phenyl] Ethanol

22. (r)-1-[3,5-bis(trifluoromethyl)-phenyl]ethanol

23. (r)-1-[bis-3,5-(trifluoromethyl)phenyl]ethanol

24. (r)-1-[3,5-bis(trifluoro-methyl)-phenyl]ethanol

25. As-813/43495601

26. J-502134

27. (1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol

28. (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl Alcohol

29. Benzenemethanol, Alpha-methyl-3,5-bis(trifluoromethyl)

30. (r)-3,5-bis(trifluoromethyl)-alpha-methylbenzyl Alcohol

31. (1r)-(+)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol

32. Benzenemethanol, A-methyl-3,5-bis(trifluoromethyl)-, (ar)-

33. (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol, >=98.0% (gc)

34. Benzenemethanol, Alpha-methyl-3,5-bis(trifluoromethyl)-, (alphar)-

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈F₆O
Molecular Weight	258.16 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	258.04793385 g/mol
Monoisotopic Mass	258.04793385 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

252742-72-6

End Use API

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About the Company

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.