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p-Anisidine-2-sulfonic acid

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Name

p-Anisidine-2-sulfonic acid

EINECS 229-291-4
CAS No. 6470-17-3 Density 1.467g/cm3
PSA 98.00000 LogP 2.18610
Solubility 21.55g/L at 25℃ Melting Point 314-318 °C(lit.)
Formula C7H9NO4S Boiling Point 386.91℃[at 101 325 Pa]
Molecular Weight 203.219 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 6470-17-3 (p-Anisidine-2-sulfonic acid) Hazard Symbols CorrosiveC
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;

Article Data 10

p-Anisidine-2-sulfonic acid Specification

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

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