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Orange IV

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Name

Orange IV

EINECS 209-071-4
CAS No. 554-73-4 Density N/A
PSA 102.33000 LogP 5.90350
Solubility Sol in water Melting Point >300°C
Formula C18H14N3NaO3S Boiling Point N/A
Molecular Weight 375.383 Flash Point N/A
Transport Information N/A Appearance Orange-yellow scales or yellow powder
Safety 36/37-26 Risk Codes R20/21/22   
Molecular Structure Molecular Structure of 554-73-4 (Orange IV) Hazard Symbols IrritantXi
Synonyms

Benzenesulfonicacid, 4-[[4-(phenylamino)phenyl]azo]-, monosodium salt (9CI);Benzenesulfonicacid, p-(p-anilinophenylazo)-, sodium salt (6CI);C.I. Acid Orange 5 (7CI);C.I. Acid Orange 5, monosodium salt (8CI);Acid Orange 5;Acid Orange IV;AcidYellow D;Aniline Yellow;C.I. 13080;Diphenylamine Orange;Hispacid Orange IV;Orange GS;Orange IV;Orange N;Solar Orange IV;Tertracid Orange IV;Tropaeolin OO;Tropeolin OO;

Article Data 2

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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