CAS 5922-60-1

Chemistry, 1 End Use API

Chemistry
1 End Use API

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 5922-60-1, 5-chloroanthranilonitrile, Benzonitrile, 2-amino-5-chloro-, Anthranilonitrile, 5-chloro-, 2-amino-5-chloro-benzonitrile, 4-chloro-2-cyanoaniline

Molecular Formula

C₇H₅ClN₂

Molecular Weight

152.58 g/mol

InChI Key

QYRDWARBHMCOAG-UHFFFAOYSA-N

FDA UNII

GY0X0082QB

1 2D Structure

CAS 5922-60-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-5-chlorobenzonitrile

2.1.2 InChI

InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2

2.1.3 InChI Key

QYRDWARBHMCOAG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Cl)C#N)N

2.2 Other Identifiers

2.2.1 UNII

GY0X0082QB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5922-60-1

2. 5-chloroanthranilonitrile

3. Benzonitrile, 2-amino-5-chloro-

4. Anthranilonitrile, 5-chloro-

5. 2-amino-5-chloro-benzonitrile

6. 4-chloro-2-cyanoaniline

7. 2-amino-5-chlorobenzenecarbonitrile

8. 2-cyano-4-chloroaniline

9. Einecs 227-651-5

10. Mfcd00017106

11. Unii-gy0x0082qb

12. 6-amino-3-chlorobenzonitrile

13. Gy0x0082qb

14. Amino(2-) 5-chloro-benzonitrile

15. 5-chloro-2-aminobenzonitrile

16. Schembl164458

17. 2-amino-5-chloro Benzonitrile

18. Dtxsid4022234

19. 2-amino-5-chlorobenzonitrile, 98%

20. Bbl011042

21. Geo-00097

22. Stk802208

23. Akos005255386

24. Cs-w019490

25. Sb75818

26. 1-cyano-2-amino-5-chlorobenzene

27. Ac-15771

28. As-12022

29. Bp-20123

30. Sy021137

31. Ls-184951

32. Am20050119

33. Ft-0635905

34. En300-130841

35. S12320

36. A832215

37. Ap-685/40847984

38. W-105336

39. Q27279347

40. F0001-1555

41. Z991549028

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₅ClN₂
Molecular Weight	152.58 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.8
Heavy Atom Count	10
Formal Charge	0
Complexity	160
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