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| CAS No.: | 6627-59-4 |
|---|---|
| Name: | Sodium 4-amino-6-chlorotoluene-3-sulphonate |
| Molecular Structure: | |
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| Formula: | C7H7ClNNaO3S |
| Molecular Weight: | 243.64 |
| Synonyms: | Benzenesulfonicacid, 2-amino-4-chloro-5-methyl-, monosodium salt (9CI);m-Toluenesulfonicacid, 6-amino-4-chloro-, monosodium salt (8CI);Sodium2-amino-4-chloro-5-methylbenzenesulfonate;Sodium2-chloro-4-aminotoluene-5-sulfonate;Benzenesulfonic acid,2-amino-4-chloro-5-methyl-, sodium salt (1:1); |
| EINECS: | 229-596-2 |
| Density: | 1.26g/cm3 |
| Melting Point: | 77-79°C |
| Boiling Point: | 539.5oC at 760 mmHg |
| Flash Point: | 280.1oC |
| Appearance: | White to light yellow crystalline powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 91.60000 |
| LogP: | 2.79670 |
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Specification
The Sodium 4-amino-6-chlorotoluene-3-sulphonate is an organic compound with the formula C7H7ClNNaO3S. The IUPAC name of this product is 2-amino-4-chloro-5-methylbenzenesulfonic acid. With the CAS registry number 6627-59-4, it is also named as 6-Amino-4-chloro-m-toluenesulfonic acid, sodium salt; m-Toluenesulfonic acid, 6-amino-4-chloro-, monosodium salt. It is white to light yellow crystalline powder which is used for the red pigment PR48 series and organic synthesis.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 2; (4)XLogP3-AA: 1.5; (5)Rotatable Bond Count: 1; (6)Exact Mass: 220.991342; (7)MonoIsotopic Mass: 220.991342; (8)Topological Polar Surface Area: 88.8; (9)Heavy Atom Count: 13; (10)Complexity: 274.
When you are using this chemical, please be cautious about it as the following. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1.SMILES: [Na+].Cc1cc(c(N)cc1Cl)S([O-])(=O)=O;
2.InChI: InChI=1/C7H8ClNO3S.Na/c1-4-2-7(13(10,11)12)6(9)3-5(4)8;/h2-3H,9H2,1H3,(H,10,11,12);/q;+1/p-1.