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CAS 120511-74-2

Chemistry, 1 End Use API, 12 Related Intermediates

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Also known as: 120511-74-2, 3,5-bis(cyanomethyl)toluene, 2,2'-(5-methyl-1,3-phenylene)diacetonitrile, 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile, 3-cyanomethyl-5-methyl-phenylacetonitrile, 5-methylbenzene-1,3-diacetonitrile

Molecular Formula

C₁₁H₁₀N₂

Molecular Weight

170.21 g/mol

InChI Key

XJCXEUYJQHPEAE-UHFFFAOYSA-N

1 2D Structure

CAS 120511-74-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile

2.1.2 InChI

InChI=1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3

2.1.3 InChI Key

XJCXEUYJQHPEAE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1)CC#N)CC#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 120511-74-2

2. 3,5-bis(cyanomethyl)toluene

3. 2,2'-(5-methyl-1,3-phenylene)diacetonitrile

4. 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile

5. 3-cyanomethyl-5-methyl-phenylacetonitrile

6. 5-methylbenzene-1,3-diacetonitrile

7. (3-cyanomethyl-5-methylphenyl)acetonitrile

8. Drofeninehydrochloride

9. Amy198

10. Schembl2262582

11. Dtxsid20923444

12. 1,3-biscyanomethyl-5-methylbenzene

13. Bcp27845

14. Mfcd07782113

15. Zinc21297549

16. Akos006285190

17. Ac-6805

18. As-13105

19. Db-021966

20. Cs-0181823

21. Ft-0642940

22. M2934

23. 2-[3-(cyanomethyl)-5-methyl-phenyl]ethanenitrile

24. 511b742

25. A804527

26. Q-100985

27. 2,2'-(5-methyl-1,3-phenylene)diacetonitrile (anastrozole Impurity)

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀N₂
Molecular Weight	170.21 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.084398327 g/mol
Monoisotopic Mass	170.084398327 g/mol
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	226
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

90357-51-0

End Use API

Anastrozole

About the Company

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.

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