CAS 367-31-7

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Also known as: 367-31-7, 4-fluoro-1,2-phenylenediamine, 1,2-diamino-4-fluorobenzene, 3,4-diaminofluorobenzene, 4-fluoro-o-phenylenediamine, 2-amino-4-fluoroaniline

Molecular Formula

C₆H₇FN₂

Molecular Weight

126.13 g/mol

InChI Key

KWEWNOOZQVJONF-UHFFFAOYSA-N

1 2D Structure

CAS 367-31-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-fluorobenzene-1,2-diamine

2.1.2 InChI

InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

2.1.3 InChI Key

KWEWNOOZQVJONF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1F)N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 367-31-7

2. 4-fluoro-1,2-phenylenediamine

3. 1,2-diamino-4-fluorobenzene

4. 3,4-diaminofluorobenzene

5. 4-fluoro-o-phenylenediamine

6. 2-amino-4-fluoroaniline

7. 3,4-diamino-1-fluorobenzene

8. 4-fluoro-1,2-diaminobenzene

9. 1,2-benzenediamine, 4-fluoro-

10. Mfcd00042228

11. 4-fluoro-1,2-benzenediamine

12. 5-fluoro-1,2-diaminobenzene

13. Einecs 206-691-7

14. 4-fluorophenylenediamine

15. Schembl103128

16. 4-fluoro-1,2-phenylendiamine

17. 4-fluoro-benzene-1,2-diamine

18. 4-fluoro-ortho-phenylenediamine

19. 4-fluoro-1,2-phenylene Diamine

20. Dtxsid30190145

21. Zinc152599

22. Act03041

23. Cl8380

24. Akos005292224

25. 4-fluoro-1,2-phenylenediamine, 97%

26. Ab01910

27. Ac-9694

28. Am61498

29. Ccg-302500

30. Cs-w007604

31. Ms-8972

32. Sy016073

33. Bb 0258962

34. D3726

35. Ft-0632050

36. En300-45055

37. J-515396

38. F0001-1053

39. Z273611666

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₇FN₂
Molecular Weight	126.13 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	126.05932639 g/mol
Monoisotopic Mass	126.05932639 g/mol
Topological Polar Surface Area	52 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
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