CAS 1443-80-7

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 1443-80-7, 4'-cyanoacetophenone, Benzonitrile, 4-acetyl-, P-cyanoacetophenone, 4-cyanoacetophenone, P-acetylbenzonitrile

Molecular Formula

C₉H₇NO

Molecular Weight

145.16 g/mol

InChI Key

NLPHXWGWBKZSJC-UHFFFAOYSA-N

1 2D Structure

CAS 1443-80-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-acetylbenzonitrile

2.1.2 InChI

InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3

2.1.3 InChI Key

NLPHXWGWBKZSJC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC=C(C=C1)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1443-80-7

2. 4'-cyanoacetophenone

3. Benzonitrile, 4-acetyl-

4. P-cyanoacetophenone

5. 4-cyanoacetophenone

6. P-acetylbenzonitrile

7. 4-acetyl-benzonitrile

8. Benzonitrile, P-acetyl-

9. Mfcd00001825

10. 4-cyanophenyl Methyl Ketone

11. 4-acetylbenznitrile

12. Paracyanoacetophenone

13. Einecs 215-885-0

14. Para-cyanoacetophenone

15. 4-cyano Acetophenone

16. 4-acetyl Benzonitrile

17. 1-acetyl-4-benzonitrile

18. P-cyanoacetophenone-[d4]

19. 4-acetylbenzonitrile, 99%

20. Schembl163209

21. Chembl255115

22. Dtxsid10162668

23. Zinc167039

24. Act08047

25. Str03197

26. Stk063185

27. Akos000118782

28. Am84403

29. Cs-w001929

30. Ac-26106

31. Sy012989

32. Db-011334

33. Ft-0618294

34. A21002

35. Ae-562/40237167

36. W-108156

37. Q63398019

38. F1905-7162

39. 4'-cyanoacetophenonele;paracyanoacetophenone;benzonitrile,4-acetyl-

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO
Molecular Weight	145.16 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	145.052763847 g/mol
Monoisotopic Mass	145.052763847 g/mol
Topological Polar Surface Area	40.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	193
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

372-18-9

End Use API

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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