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Benzenesulfonic acid,4-amino-3-methyl-, sodium salt (1:1)

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Name

Benzenesulfonic acid,4-amino-3-methyl-, sodium salt (1:1)

EINECS 264-172-0
CAS No. 63450-43-1 Density 1.429g/cm3 at 24℃
PSA 91.60000 LogP 2.14330
Solubility N/A Melting Point N/A
Formula C7H8NNaO3S Boiling Point N/A
Molecular Weight 209.1981 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 63450-43-1 (O-TOLUIDINE-4-SULFONIC ACID SODIUM SALT) Hazard Symbols N/A
Synonyms

Benzenesulfonicacid, 4-amino-3-methyl-, monosodium salt (9CI);

 

Benzenesulfonic acid,4-amino-3-methyl-, sodium salt (1:1) 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) Effect 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.

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