CAS No.63450-43-1,O-TOLUIDINE-4-SULFONIC ACID SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63450-43-1
Name:	O-TOLUIDINE-4-SULFONIC ACID SODIUM SALT

Formula:	C₇H₈NNaO₃S
Molecular Weight:	209.1981
Synonyms:	Benzenesulfonicacid, 4-amino-3-methyl-, monosodium salt (9CI);
EINECS:	264-172-0
Density:	1.429g/cm3 at 24℃
Safety:	22-24/25
PSA:	91.60000
LogP:	2.14330

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Specification

The Benzenesulfonic acid, 4-amino-3-methyl-, sodium salt (1:1), with the CAS registry number 63450-43-1, is also known as Benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt. Its EINECS registry number is 264-172-0. This chemical's molecular formula is C₇H₈NNaO₃S and molecular weight is 209.1981. What's more, its IUPAC name is Sodium 4-amino-3-methylbenzenesulfonate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant, light, strong acid, heat. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about Benzenesulfonic acid, 4-amino-3-methyl-, sodium salt (1:1) are: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 1; (4)Exact Mass: 209.012258; (5)MonoIsotopic Mass: 209.012258; (6)Topological Polar Surface Area: 91.6; (7)Heavy Atom Count: 13; (8)Formal Charge: 0; (9)Complexity: 249; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)c1ccc(N)c(c1)C
(2) InChI: InChI=1/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1
(3) InChIKey: RVSNUNNCRYLEEM-REWHXWOFAO

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD	oral	> 10gm/kg (10000mg/kg)	Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (10), Pg. 36, 1996.
mouse	LD50	intraperitoneal	3gm/kg (3000mg/kg)	Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (10), Pg. 36, 1996.
rat	LD	oral	> 15gm/kg (15000mg/kg)	Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (10), Pg. 36, 1996.