CAS No.554-73-4,Orange IV Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	554-73-4
Name:	Orange IV
Article Data:	2

Formula:	C₁₈H₁₄N₃NaO₃S
Molecular Weight:	375.383
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;
EINECS:	209-071-4
Melting Point:	>300°C
Solubility:	Sol in water
Appearance:	Orange-yellow scales or yellow powder
Hazard Symbols:	Xi
Risk Codes:	R20/21/22
Safety:	36/37-26
PSA:	102.33000
LogP:	5.90350

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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