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CAS No.: | 89-08-7 |
---|---|
Name: | 4-SULFOPHTHALIC ACID |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C8H6O7S |
Molecular Weight: | 246.197 |
Synonyms: | Phthalicacid, 4-sulfo- (7CI,8CI);4-Sulfo-1,2-benzenedicarboxylic acid;4-Sulfophthalicacid;NSC 100615;NSC 163994; |
EINECS: | 201-881-6 |
Density: | 1.793 g/cm3 |
Boiling Point: | 92 °C |
Appearance: | clear slightly brown solution |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-27-28-36/37/39-45 |
PSA: | 137.35000 |
LogP: | 1.41050 |
Conditions | Yield |
---|---|
With sulfuric acid; sulfur trioxide at 190 - 200℃; schliesslich 210grad; | |
With sulfuric acid; sulfur trioxide at 215℃; | |
With sulfuric acid; mercury(II) sulfate at 130℃; |
Conditions | Yield |
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With sulfuric acid; sulfur trioxide |
Conditions | Yield |
---|---|
With sulfuric acid; mercury(II) sulfate at 200℃; |
Conditions | Yield |
---|---|
With nitric acid | |
With hydrogenchloride; sodium hypochlorite at 15 - 20℃; |
Conditions | Yield |
---|---|
With sulfur trioxide at 100 - 105℃; | |
With sulfuric acid; sulfur trioxide at 215℃; |
phthalic anhydride
sulfuric acid
A
4-sulfophthalic acid
B
3-sulfophthalic acid
3-sulfophthalimide
A
4-sulfophthalic acid
Conditions | Yield |
---|---|
at 215℃; |
Conditions | Yield |
---|---|
at 105℃; im geschlossenen Rohr; |
4-sulfophthalic acid
Conditions | Yield |
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With potassium hydroxide; potassium permanganate; water at 100℃; |
The 1,2-Benzenedicarboxylicacid, 4-sulfo-, with CAS registry number 89-08-7, has the systematic name of 4-sulfobenzene-1,2-dicarboxylic acid. This chemical belongs to the following product categories: (1)Organic acids; (2)Carboxylic Acid Monomers; (3)Monomers; (4)Polymer Science. This chemical is a kind of clear slightly brown solution. The main use of this chemical is for preparation of Fast Red RC Base.
Physical properties of 1,2-Benzenedicarboxylicacid, 4-sulfo-: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.04; (4)ACD/LogD (pH 7.4): -5.57; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 104.35 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 49.65 cm3; (15)Molar Volume: 137.2 cm3; (16)Polarizability: 19.68×10-24cm3; (17)Surface Tension: 88.6 dyne/cm.
When you are using this chemical, please be cautious about it as the following:
The 1,2-Benzenedicarboxylicacid, 4-sulfo- may cause burns. After contact with skin, wash immediately with plenty of soap-suds and take off immediately all contaminated clothing. 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(c(C(=O)O)cc1)C(=O)O
(2)InChI: InChI=1/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
(3)InChIKey: WNKQDGLSQUASME-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
(5)Std. InChIKey: WNKQDGLSQUASME-UHFFFAOYSA-N