Vat Orange 7

• CAS: 4424-06-0
• Catalog Number: ACM4424060
• Category: Vat Dyes
• Molecular Weight: 412.4g/mol
• Molecular Formula: C26H12N4O2
• Description: C.i. pigment orange 43 is a fine orange powder. (NTP, 1992)
• IUPAC Name: 3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione
• Canonical SMILES: C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=C5C6=C(C=CC3=C46)C(=O)N7C5=NC8=CC=CC=C87
• InChI: InChI=1S/C26H12N4O2/c31-25-15-12-10-14-22-16(26(32)30-20-8-4-2-6-18(20)28-24(14)30)11-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h1-12H
• InChI Key: DGBWPZSGHAXYGK-UHFFFAOYSA-N
• Solubility: less than 0.1 mg/mL at 63° F (NTP, 1992)
• Complexity: 780
• Covalently-Bonded Unit Count: 1
• EC Number: 224-597-4
• Exact Mass: 412.096026g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 32
• Monoisotopic Mass: 412.096026g/mol
• Rotatable Bond Count: 0
• XLogP3: 4.8

Custom Q&A

What is the molecular formula of Vat Orange 7?

The molecular formula of Vat Orange 7 is C26H12N4O2.

What is the molecular weight of Vat Orange 7?

The molecular weight of Vat Orange 7 is 412.4 g/mol.

What is the IUPAC name of Vat Orange 7?

The IUPAC name of Vat Orange 7 is 3,10,17,24-tetrazaoctacyclo[13.13.2.0 2,10 .0 4,9 .0 12,29 .0 16,24 .0 18,23 .0 26,30 ]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione.

What is the InChIKey of Vat Orange 7?

The InChIKey of Vat Orange 7 is DGBWPZSGHAXYGK-UHFFFAOYSA-N.

What is the Canonical SMILES of Vat Orange 7?

The Canonical SMILES of Vat Orange 7 is C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=C5C6=C(C=CC3=C46)C(=O)N7C5=NC8=CC=CC=C87.

What is the CAS number of Vat Orange 7?

The CAS number of Vat Orange 7 is 4424-06-0.

What is the European Community (EC) number of Vat Orange 7?

The European Community (EC) number of Vat Orange 7 is 224-597-4.

What is the Nikkaji Number of Vat Orange 7?

The Nikkaji Number of Vat Orange 7 is J93.159D.

What is the topological polar surface area of Vat Orange 7?

The topological polar surface area of Vat Orange 7 is 69.8 ?2.

Synthetic Use

Upstream Synthesis Route 1

• 95-54-5

• 4424-06-0

Reference: [1]Fiat
[Final Report Nr. 1313,Bd.II<1948>,S.168]
Venkataraman,K.
[The Chemistry of Synthetic Dyes,Bd.II,S.1192]
[2]Current Patent Assignee: J G FARBENINDUSTRIE - DE430632, 1926, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 15, p. 788][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 15, p. 788]
[3]Current Patent Assignee: I.G. FARBENINDUSTRIE AG (historic) - DE457980, 1928, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 1364][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 1364]
[4]Current Patent Assignee: I.G. FARBENINDUSTRIE AG (historic) - DE457980, 1928, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 1364][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 1364]