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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Ferric oxide yellow, Pigment yellow 42, Ferric oxide, yellow, Ex438o2mrt, Iron(3+);oxygen(2-);hydroxide;hydrate, Ferrox

Molecular Formula

FeH₃O₃

Molecular Weight

106.87 g/mol

InChI Key

LDHBWEYLDHLIBQ-UHFFFAOYSA-M

FDA UNII

EX438O2MRT

1 2D Structure

Ferric oxide Yellow

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

iron(3+);oxygen(2-);hydroxide;hydrate

2.1.2 InChI

InChI=1S/Fe.2H2O.O/h;2*1H2;/q+3;;;-2/p-1

2.1.3 InChI Key

LDHBWEYLDHLIBQ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

O.[OH-].[O-2].[Fe+3]

2.2 Other Identifiers

2.2.1 UNII

EX438O2MRT

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Ferric Oxide Yellow

2. Pigment Yellow 42

3. Ferric Oxide, Yellow

4. Ex438o2mrt

5. Iron(3+);oxygen(2-);hydroxide;hydrate

6. Ferrox

7. Bayferrox 920

8. Unii-ex438o2mrt

9. Iron Hydroxide Oxide Yellow

10. Ferric Oxide, Yellow [nf]

11. Ccris 4378

12. Einecs 257-098-5

13. Mapico Yellow

14. Iron Oxide,yellow

15. Ferric Oxide,yellow

16. Ec 257-098-5

17. Hydrated Ferric-oxide

18. Ferric Oxide, Hydrated

19. Ins No.172(iii)

20. Ins-172(iii)

21. Ferric Oxide Yellow [ii]

22. Ferric Oxyhydroxide Hydrate

23. Hydrated Iron (iii) Oxide

24. Iron Oxide,yellow [vandf]

25. Ci 77492 [inci]

26. E-172(iii)

27. Synthetic Yellow Iron Oxide

28. Ferric Oxide,yellow [vandf]

29. Ferric Oxide, Hydrated [ii]

30. Ferric Oxide (hydrate) [nf]

31. Akos032950036

32. Ci Pigment Yellow 42 And 43

33. C.i. 77492

34. Iron(iii) Oxide-hydroxide Monohydrate

35. Ci(1975) No. 77492

36. Q27277405

37. 1317-63-1

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	FeH₃O₃
Molecular Weight	106.87 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	106.943154 g/mol
Monoisotopic Mass	106.943154 g/mol
Topological Polar Surface Area	3 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	0
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	4