Cas no 4203-77-4 (Vat Red 13)

Vat Red 13 structure
Vat Red 13 structure
Product Name:Vat Red 13
CAS No:4203-77-4
MF:C32H22N4O2
MW:494.54268693924
CID:44837
Update Time:2024-01-23

Vat Red 13 Chemical and Physical Properties

Names and Identifiers

    • Vat Red 13
    • Carbanthrene Red G 2B
    • 1,1'-Diaethyl-1H,1'H-[3,3']bi[dibenz[cd,g]indazolyl]-6,6'-dion
    • 1,1'-diethyl[3,3'-bianthra(1,9-cd)pyrazole]-6,6'(1H,1'H)-dione
    • 1,1'-diethyl-1H,1'H-[3,3']bi[dibenz[cd,g]indazolyl]-6,6'-dione
    • Ahcovat Rubine R
    • Cibanone Red 6B
    • Fenanthren Rubine R
    • Indanthren Rubine R
    • Indanthrene Rubine R
    • Nihonthrene Red BB
    • Pigment Red 195
    • Ponsol Red 2B
    • Ponsol Red 2BD
    • Tinon Red 6B
    • 1,1'-Diethyl[3,3'-bianthra[1,9-cd]pyrazole]-6,6'(1H,1'H)-dione
    • C.I. 70320
    • C.I. Vat Red 13
    • Vat red 13 (C.I. 70320)
    • Rubine 6B
    • C.I.Pigment Red 195
    • 3,3-Bianthra1,9-cdpyrazole-6,6(1H,1H)-dione, 1,1-diethyl-
    • Inchi： 1S/C32H22N4O2/c1-3-35-29-19-9-5-7-11-21(19)31(37)23-15-13-17(27(33-35)25(23)29)18-14-16-24-26-28(18)34-36(4-2)30(26)20-10-6-8-12-22(20)32(24)38/h5-16H,3-4H2,1-2H3
    • InChI Key： ARCAURIQGNHJJN-UHFFFAOYSA-N
    • SMILES： N1(CC)C2C3=C(C=CC=C3)C(=O)C3C=2C(C(C2C4C5C(C(=O)C6=C(C=5N(CC)N=4)C=CC=C6)=CC=2)=CC=3)=N1

Computed Properties

  • Exact Mass: 494.17400
  • Monoisotopic Mass: 494.174276
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 3
  • Complexity: 895
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 69.8

Experimental Properties

  • Density: 1.44
  • Boiling Point: 587.58°C (rough estimate)
  • Flash Point: 460.7°C
  • Refractive Index: 1.6000 (estimate)
  • PSA: 69.78000
  • LogP: 6.30160
  • pka: -1.60±0.20(Predicted)

Vat Red 13 Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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