CAS No.59312-73-1,sodium 5-amino-4-methoxy-2-nitrobenzenesulphonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59312-73-1
Name:	sodium 5-amino-4-methoxy-2-nitrobenzenesulphonate

Formula:	C₇H₈N₂NaO₆S
Molecular Weight:	271.20
Synonyms:	4-Nitro-o-anisidine-5-sulfonic acid sodium salt;4-Nitro-2-anisidine-5-sulfonicacid;2-Methoxy-4-nitroanilin-5-sulfonsure;
EINECS:	261-695-6
PSA:	146.65000
LogP:	2.27490

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Specification

The Benzenesulfonic acid,5-amino-4-methoxy-2-nitro-, sodium salt (1:1), with the CAS registry number 59312-73-1, is also known as 2-Methoxy-4-nitroanilin-5-sulfonsure. Its EINECS number is 261-695-6. This chemical's molecular formula is C₇H₈N₂NaO₆S and molecular weight is 271.20. What's more, its IUPAC name is sodium 5-amino-4-methoxy-2-nitrobenzenesulfonate.

Physical properties of Benzenesulfonic acid,5-amino-4-methoxy-2-nitro-, sodium salt (1:1) are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.75; (4)ACD/LogD (pH 7.4): -2.76; (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: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 121.04 Å².

Preparation: this chemical can be prepared by 3-(N-p-toluenesulfonamido)-4-methoxy-6-nitrobenzensulfonic acid sodium salt by heating. This reaction will need reagent 20percent aq. HCl with the reaction time of 3 hours. The yield is about 64%.

Benzenesulfonic acid,5-amino-4-methoxy-2-nitro-, sodium salt (1:1) can be prepared by 3-(N-p-toluenesulfonamido)-4-methoxy-6-nitrobenzensulfonic acid sodium salt when it is heated

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-][N+](=O)c1cc(OC)c(N)cc1S([O-])(=O)=O
(2)Std. InChI: InChI=1S/C7H8N2O6S.Na/c1-15-6-3-5(9(10)11)7(2-4(6)8)16(12,13)14;/h2-3H,8H2,1H3,(H,12,13,14);/q;+1/p-1
(3)Std. InChIKey: KVJWAYQTZJQCNQ-UHFFFAOYSA-M