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5-Sulfoanthranilic acid

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Name

5-Sulfoanthranilic acid

EINECS 222-697-2
CAS No. 3577-63-7 Density 1.709 g/cm3
PSA 126.07000 LogP 1.87570
Solubility N/A Melting Point 317 °C
Formula C7H7NO5S Boiling Point N/A
Molecular Weight 217.202 Flash Point N/A
Transport Information N/A Appearance off-pink powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3577-63-7 (5-Sulfoanthranilic acid) Hazard Symbols N/A
Synonyms

Anthranilicacid, 5-sulfo- (6CI,7CI,8CI);2-Amino-1-carboxybenzene-5-sulfonic acid;2-Amino-5-sulfobenzoic acid;2-Carboxy-4-sulfoaniline;4-Amino-3-carboxybenzenesulfonic acid;4-Sulfo-2-carboxyaniline;5-Sulfoanthranilic acid;

Article Data 20

5-Sulfoanthranilic acid Synthetic route

483-20-5

indigo 5,5'-disulfonic acid

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
Stage #1: indigo-5,5'-disulfonic acid With bromamine B; sodium hydroxide; palladium dichloride In water; acetonitrile at 60℃; for 3.66667h; pH=12;
Stage #2: In water Acidic conditions;
94%
118-92-3

anthranilic acid

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
With fuming sulphuric acid at 0 - 180℃; for 2h; Reflux;82%
With fuming sulphuric acid; sulfur trioxide at 0 - 180℃; for 2h; Cooling with ice;76%
57%
118-48-9

isatoic anhydride

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
With sulfuric acid Erwaermen des Reaktionsprodukts mit wss. Natriumcarbonat-Loesung;
7313-70-4

isatin-5-monosulphonic acid

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
With sodium hydroxide; dihydrogen peroxide
41513-78-4

2-phthalimidobenzoic acid

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
With sulfuric acid at 180℃;
195452-57-4

2-bromo-5-sulfo-benzoic acid

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
With ammonia at 160 - 180℃;
118-92-3

anthranilic acid

A

3577-63-7

2-amino-5-sulfo-benzoic acid

B

121-57-3

4-aminobenzene sulfonic acid

Conditions
ConditionsYield
With sulfuric acid at 180℃;

2,2'-dicarboxydianilinium sulfate

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
at 250℃; under 60 Torr; Solid phase reaction;
7664-93-9

sulfuric acid

118-92-3

anthranilic acid

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
Erhitzen des Reaktionsprodukts unter vermindertem Druck bis auf 220grad;
Erhitzen des Reaktionsprodukts unter vermindertem Druck bis auf 220grad;
7790-94-5

chlorosulfonic acid

7664-93-9

sulfuric acid

118-92-3

anthranilic acid

3577-63-7

2-amino-5-sulfo-benzoic acid

Conditions
ConditionsYield
at 90 - 150℃;

5-Sulfoanthranilic acid Specification

This chemical is called Benzoic acid, 2-amino-5-sulfo-, and its CAS registry number is 3577-63-7. With the molecular formula of C7H7NO5S, its product category is Intermediates of Dyes and Pigments. It's soluble in hot water [Hawley], unstable to prolonged exposure to air.

Other characteristics of the Benzoic acid, 2-amino-5-sulfo- can be summarised as followings: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.16; (4)ACD/LogD (pH 7.4): -4.34; (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: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.29 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 46.99 cm3; (15)Molar Volume: 127 cm3; (16)Polarizability: 18.63×10-24cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(ccc1N)S(=O)(=O)O
2.InChI: InChI=1/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
3.InChIKey: MJNYPLCGWXFYPD-UHFFFAOYAB

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