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1,2-Benzenedicarboxylicacid, 4-sulfo-

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Name

1,2-Benzenedicarboxylicacid, 4-sulfo-

EINECS 201-881-6
CAS No. 89-08-7 Density 1.793 g/cm3
PSA 137.35000 LogP 1.41050
Solubility N/A Melting Point N/A
Formula C8H6O7S Boiling Point 92 °C
Molecular Weight 246.197 Flash Point N/A
Transport Information N/A Appearance clear slightly brown solution
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 89-08-7 (4-SULFOPHTHALIC ACID) Hazard Symbols CorrosiveC
Synonyms

Phthalicacid, 4-sulfo- (7CI,8CI);4-Sulfo-1,2-benzenedicarboxylic acid;4-Sulfophthalicacid;NSC 100615;NSC 163994;

Article Data 15

1,2-Benzenedicarboxylicacid, 4-sulfo- Synthetic route

85-44-9

phthalic anhydride

89-08-7

4-sulfophthalic acid

Conditions
ConditionsYield
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℃;
85-44-9

phthalic anhydride

A

89-08-7

4-sulfophthalic acid

B

67892-43-7

3-sulfophthalic acid

Conditions
ConditionsYield
With sulfuric acid; sulfur trioxide
85-44-9

phthalic anhydride

A

89-08-7

4-sulfophthalic acid

B

216451-89-7

3,5-disulfophthalic acid

Conditions
ConditionsYield
With sulfuric acid; mercury(II) sulfate at 200℃;
483-84-1

8-hydroxy-5,7-dinitro-2-naphthalenesulfonic acid

89-08-7

4-sulfophthalic acid

Conditions
ConditionsYield
With nitric acid
With hydrogenchloride; sodium hypochlorite at 15 - 20℃;
88-99-3

benzene-1,2-dicarboxylic acid

89-08-7

4-sulfophthalic acid

Conditions
ConditionsYield
With sulfur trioxide at 100 - 105℃;
With sulfuric acid; sulfur trioxide at 215℃;
85-44-9

phthalic anhydride

7664-93-9

sulfuric acid

A

89-08-7

4-sulfophthalic acid

B

67892-43-7

3-sulfophthalic acid

115953-80-5

3-sulfophthalimide

alkaline sodium hypochlorite solution

alkaline sodium hypochlorite solution

A

89-08-7

4-sulfophthalic acid

B

4-sulfo-anthranilic acid (?)

4-sulfo-anthranilic acid (?)

7664-93-9

sulfuric acid

88-99-3

benzene-1,2-dicarboxylic acid

89-08-7

4-sulfophthalic acid

Conditions
ConditionsYield
at 215℃;
7446-11-9

sulfur trioxide

88-99-3

benzene-1,2-dicarboxylic acid

89-08-7

4-sulfophthalic acid

Conditions
ConditionsYield
at 105℃; im geschlossenen Rohr;
β-naphthalene-sulfamide

β-naphthalene-sulfamide

89-08-7

4-sulfophthalic acid

Conditions
ConditionsYield
With potassium hydroxide; potassium permanganate; water at 100℃;

1,2-Benzenedicarboxylicacid, 4-sulfo- Specification

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

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