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Orange IV

  • Name Orange IV
  • EINECS209-071-4
  • CAS No. 554-73-4
  • DensityN/A
  • PSA102.33000
  • LogP5.90350
  • SolubilitySol in water
  • Melting Point>300°C
  • FormulaC18H14N3NaO3S
  • Boiling PointN/A
  • Molecular Weight375.383
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceOrange-yellow scales or yellow powder
  • Safety36/37-26
  • Risk CodesR20/21/22   
  • Molecular Structure
    Molecular Structure of 554-73-4 (Orange IV)
  • Hazard Symbols IrritantXi
  • Synonyms IrritantXi
  • Article Data2

Orange IV Specification

The Orange IV with cas registry number of 554-73-4, belongs to the following product categories: (1)Indicator (pH); (2)pH Indicators; (3)Analytical Chemistry. Its systematic name is sodium 4-{(E)-[4-(phenylamino)phenyl]diazenyl}benzenesulfonate.Its other registry number is 1342-34-3.

Physical properties about this chemical are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 90.71 Å2.

When you are using this chemical, please be cautious about it as the following:
The Orange IV irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. This chemical seriously damage to the eyes. If contact with eyes, rinse immediately with plenty of water and seek medical advice. 
Besides this, Orange IV is also harmful by inhalation and if swallowed.

You can still convert the following datas into molecular structure: 
(1)SMILES:[Na+].[O-]S(=O)(=O)c3ccc(/N=N/c2ccc(Nc1ccccc1)cc2)cc3;
(2)InChI:InChI=1/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1/b21-20+;;
(3)InChIKey:MLVYOYVMOZFHIU-LGLICYIRBD;
(4)Std. InChI:InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1/b21-20+;;
(5)Std. InChIKey:MLVYOYVMOZFHIU-ANVLNOONSA-M

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