CAS No.62758-12-7,Ethyl orange Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62758-12-7
Name:	Ethyl orange

Formula:	C₁₆H₁₈N₃NaO₃S
Molecular Weight:	355.393
Synonyms:	Benzenesulfonicacid, 4-[[4-(diethylamino)phenyl]azo]-, sodium salt (9CI);Benzenesulfonicacid, p-[[p-(diethylamino)phenyl]azo]-, sodium salt (7CI);Ethyl orange sodiumsalt;Sodium 4-[[4-(diethylamino)phenyl]azo]benzenesulfonate;
EINECS:	263-716-4
Melting Point:	>300°C
Appearance:	orange crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	93.54000
LogP:	4.93310

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Specification

The Ethyl orange, with the CAS registry number of 62758-12-7, is also known as Benzenesulfonic acid, 4-[2-[4-(diethylamino)phenyl]diazenyl]-, sodium salt (1:1). It belongs to the product categories of Organics; Analytical Chemistry; Indicator (pH); pH Indicators. Its EINECS registry number is 263-716-4. This chemical's molecular formula is C₁₆H₁₈N₃NaO₃S and molecular weight is 355.39. What's more, its IUPAC name is Sodium 4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonate. In addition, it should be stored in dry, cool, airtight place. It can not contact with oxidant, light, heat, otherwise it would decompose.

Physical properties about Ethyl orange are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.68; (8)ACD/KOC (pH 7.4): 1.46; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 90.71 Å².

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)c2ccc(/N=N/c1ccc(N(CC)CC)cc1)cc2
(2) InChI: InChI=1/C16H19N3O3S.Na/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1/b18-17+;
(3) InChIKey: YZORUOZKRBVLEG-MQRXKLAQBQ