Dksh

CAS 78573-45-2

Chemistry, 1 End Use API, 12 Related Intermediates

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Also known as: 78573-45-2, 3-[3-(trifluoromethyl)phenyl]propan-1-ol, 3-(3'-trifluoromethyl phenyl) propanol, 3-[3-(trifluoromethyl)phenyl]-1-propanol, 3-(3-trifluoromethyl-phenyl)-propan-1-ol, 3-(trifluoromethyl)benzenepropanol

Molecular Formula

C₁₀H₁₁F₃O

Molecular Weight

204.19 g/mol

InChI Key

QWXKQVIMGVVIBX-UHFFFAOYSA-N

1 2D Structure

CAS 78573-45-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[3-(trifluoromethyl)phenyl]propan-1-ol

2.1.2 InChI

InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2

2.1.3 InChI Key

QWXKQVIMGVVIBX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)C(F)(F)F)CCCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 78573-45-2

2. 3-[3-(trifluoromethyl)phenyl]propan-1-ol

3. 3-(3'-trifluoromethyl Phenyl) Propanol

4. 3-[3-(trifluoromethyl)phenyl]-1-propanol

5. 3-(3-trifluoromethyl-phenyl)-propan-1-ol

6. 3-(trifluoromethyl)benzenepropanol

7. Benzenepropanol, 3-(trifluoromethyl)-

8. 3-[3-(trifluoromethyl)phenyl]propanol

9. Mfcd08706408

10. 3-(3'-trifluoromethylphenyl)propanol

11. Schembl81305

12. Chebi:48528

13. Dtxsid10595957

14. 3-(3-trifluoromethylphenyl)propanol

15. Amy31446

16. Bcp12311

17. Cs-m0619

18. Zinc22008403

19. Akos011896864

20. Sb38757

21. 3-(3-trifluoromethylphenyl)-1-propanol

22. 3-(3-trifluoromethylphenyl)propan-1-ol

23. Ac-29726

24. Ds-12921

25. Sy029878

26. Ft-0649412

27. T3095

28. A26168

29. 573t452

30. J-510631

31. Q27121255

32. 3-(3-(trifluoromethyl)phenyl)propan-1-ol;3-[3-(trifluoromethyl)phenyl]-1-propanol

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁F₃O
Molecular Weight	204.19 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	204.07619946 g/mol
Monoisotopic Mass	204.07619946 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

941-98-0

End Use API

Cinacalcet Hydrochloride

About the Company

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and bus...

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and business growth in both existing and emerging markets. It has been fostering growth for businesses in Asia and beyond for over 155 years. DKSH operates in 36 markets, is listed on the SIX Swiss Exchange, employs 33,100 specialists, and generated net sales of CHF 11.1 billion in 2021. It is the leading global distributor of innovative pharma ingredients for pharmaceutical synthesis and formulation. It offers a range of products, ranging from animal care products to packaging materials, intermediates to nutraceuticals, and APIs to excipients.