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CAS No.: | 6470-17-3 |
---|---|
Name: | p-Anisidine-2-sulfonic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H9NO4S |
Molecular Weight: | 203.219 |
Synonyms: | Metanilicacid, 6-methoxy- (6CI,7CI,8CI);1-Amino-4-methoxy-3-benzenesulfonic acid;3-Amino-6-methoxybenzenesulfonic acid;5-Amino-2-methoxybenzenesulfonic acid;6-Methoxymetanilic acid;NSC 7546;p-Anisidine-3-sulfonic acid; |
EINECS: | 229-291-4 |
Density: | 1.467g/cm3 |
Melting Point: | 314-318 °C(lit.) |
Boiling Point: | 386.91℃[at 101 325 Pa] |
Solubility: | 21.55g/L at 25℃ |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 98.00000 |
LogP: | 2.18610 |
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The p-Anisidine-2-sulfonic acid, with CAS registry number 6470-17-3, has the systematic name of 5-amino-2-methoxybenzenesulfonic acid. And its IUPAC name is the same one. The chemical formula of this chemical is C7H9NO4S. What's more, its EINECS is 229-291-4.
Physical properties of p-Anisidine-2-sulfonic acid: (1)ACD/LogP: -1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.51; (4)ACD/LogD (pH 7.4): -4.74; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 47.08 cm3; (15)Molar Volume: 138.4 cm3; (16)Polarizability: 18.66×10-24cm3; (17)Surface Tension: 60.8 dyne/cm.
When you are using this chemical, please be cautious about it as the following:
The p-Anisidine-2-sulfonic acid may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(ccc1OC)N
(2)InChI: InChI=1/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
(3)InChIKey: JXZGTFLJFKLVAX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
(5)Std. InChIKey: JXZGTFLJFKLVAX-UHFFFAOYSA-N