Product Name

  • Name

    Reactive Orange 13

  • EINECS 274-700-1
  • CAS No. 12225-85-3
  • Density
  • Solubility
  • Melting Point
  • Formula C24H15ClN7Na3O10S3
  • Boiling Point
  • Molecular Weight 762.0341
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 12225-85-3 (Reactive Orange  13)
  • Hazard Symbols
  • Synonyms Trisodium 2-[(2E)-2-[6-[(4-amino-6-chloro-1, 3, 5-triazin-2-yl)-methylamino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalene-1, 5-disulfonate;
  • PSA
  • LogP

Reactive orange 13 Specification

The CAS register number of C.I. Reactive Orange 13 is 70616-89-6. It also can be called as 2-[[6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-1,5-naphthalenedisulfonic acid trisodium salt and the IUPAC name about this chemical is trisodium 2-[(2E)-2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonate. The molecular formula about this chemical is C24H15ClN7Na3O10Sand molecular weight is 762.03. It belongs to the Organics.

Physical properties about C.I. Reactive Orange 13 are: (1)#H bond acceptors: 17; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 309.62Å2; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 17; (7)Rotatable Bond Count: 4; (8)Tautomer Count: 12; (9)Exact Mass: 760.942414; (10)MonoIsotopic Mass: 760.942414; (11)Topological Polar Surface: Area 306; (12)Heavy Atom Count: 48; (13)Complexity: 1500; (14)Defined Bond StereoCenter Count: 1; (15)Covalently-Bonded Unit Count: 4.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O
(2)InChI: InChI=1/C24H18ClN7O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;/q;3*+1/p-3
(3)InChIKey: IHVXOVVDYSKGMH-DFZHHIFOAK
(4)Std. InChI: InChI=1S/C24H18ClN7O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;/q;3*+1/p-3
(5)Std. InChIKey: IHVXOVVDYSKGMH-UHFFFAOYSA-K

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View