CAS 4198-90-7

Chemistry, 2 End Use API, 29 Related Intermediates

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Also known as: 4-hydroxy-3,5-dimethylbenzonitrile, 4198-90-7, 4-cyano-2,6-dimethylphenol, 2,6-dimethyl-4-cyanophenol, 4-hydroxy-3,5-dimethyl-benzonitrile, Benzonitrile, 3,5-dimethyl-4-hydroxy-

Molecular Formula

C₉H₉NO

Molecular Weight

147.17 g/mol

InChI Key

WFYGXOWFEIOHCZ-UHFFFAOYSA-N

FDA UNII

FP7F5WF7R4

1 2D Structure

CAS 4198-90-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-3,5-dimethylbenzonitrile

2.1.2 InChI

InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3

2.1.3 InChI Key

WFYGXOWFEIOHCZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1O)C)C#N

2.2 Other Identifiers

2.2.1 UNII

FP7F5WF7R4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4-hydroxy-3,5-dimethylbenzonitrile

2. 4198-90-7

3. 4-cyano-2,6-dimethylphenol

4. 2,6-dimethyl-4-cyanophenol

5. 4-hydroxy-3,5-dimethyl-benzonitrile

6. Benzonitrile, 3,5-dimethyl-4-hydroxy-

7. Fp7f5wf7r4

8. Chembl4207620

9. Benzonitrile, 4-hydroxy-3,5-dimethyl-

10. Brn 2574734

11. 3,5-dimethyl-4-hydroxy Benzonitrile

12. Mfcd00221716

13. Unii-fp7f5wf7r4

14. Schembl197918

15. Dtxsid00194791

16. Zinc162656

17. Act12497

18. Albb-016105

19. 3,5,-dimethyl-4-hydroxybenzonitrile

20. 3,5-dimethyl-4-hydroxy-benzonitrile

21. 4-hydroxy-3,5-dimethyl Benzonitrile

22. Bdbm50458420

23. 4-hydroxy 3, 5-dimethyl Benzonitrile

24. Akos005256952

25. Ac-8502

26. Cs-w020066

27. Ds-0804

28. Pb30622

29. Ps-4473

30. Sb10009

31. Ac-19781

32. Bp-10033

33. 3,5-dimethyl-4-hydroxybenzonitrile, 97%

34. 4-hydroxy-3,5-dimethylbenzonitrile, 98%

35. Db-028298

36. Am20060814

37. D2790

38. Ft-0610687

39. Ft-0614672

40. Ft-0667461

41. En300-91953

42. 876h153

43. J-515484

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO
Molecular Weight	147.17 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	147.068413911 g/mol
Monoisotopic Mass	147.068413911 g/mol
Topological Polar Surface Area	44 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	169
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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Malladi Drugs & Pharmaceuticals Lim...

Malladi is a leader in Ephedrine, Pseudoephedrine Salts & Phenylephrine HCl // USFDA, EDQM, ANSM, KFDA, and TGA inspected.

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India

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Etravirine

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CAS Number

4198-90-7

Intermediate Name

4-Hydroxy-3,5-Dimethylbenzonitrile

About the Company

Malladi Drugs & Pharmaceuticals Ltd was founded in 1980 by microbiologist Mr. M L N Sastry. Within a few ...

Malladi Drugs & Pharmaceuticals Ltd was founded in 1980 by microbiologist Mr. M L N Sastry. Within a few years, Malladi established itself as a leader in manufacturing ephedrine and pseudoephedrine salts. Today, it is the leading manufacturer of APIs in the cough and cold segment. It also has a dominant presence in several therapeutic segments like antihistamines, anti-convulsants, anti-depressants and anxiolytics (CNS). Malladi exports its products to around 60 countries and over 85% of its revenue is generated from exports. Its manufacturing facilities have been approved by the FDA, EDQM, KFDA, TGA and various other regulatory agencies.

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Not Confirmed

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Luna Chemicals

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China

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Erlotinib

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CAS Number

4198-90-7

Intermediate Name

3,5-Dimethyl-4-hydroxybenzonitrile

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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