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CAS No.: | 3577-63-7 |
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Name: | 5-Sulfoanthranilic acid |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H7NO5S |
Molecular Weight: | 217.202 |
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; |
EINECS: | 222-697-2 |
Density: | 1.709 g/cm3 |
Melting Point: | 317 °C |
Appearance: | off-pink powder |
PSA: | 126.07000 |
LogP: | 1.87570 |
Conditions | Yield |
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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% |
Conditions | Yield |
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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% |
Conditions | Yield |
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With sulfuric acid Erwaermen des Reaktionsprodukts mit wss. Natriumcarbonat-Loesung; |
Conditions | Yield |
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With sodium hydroxide; dihydrogen peroxide |
2-phthalimidobenzoic acid
2-amino-5-sulfo-benzoic acid
Conditions | Yield |
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With sulfuric acid at 180℃; |
2-bromo-5-sulfo-benzoic acid
2-amino-5-sulfo-benzoic acid
Conditions | Yield |
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With ammonia at 160 - 180℃; |
Conditions | Yield |
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With sulfuric acid at 180℃; |
2-amino-5-sulfo-benzoic acid
Conditions | Yield |
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at 250℃; under 60 Torr; Solid phase reaction; |
Conditions | Yield |
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Erhitzen des Reaktionsprodukts unter vermindertem Druck bis auf 220grad; | |
Erhitzen des Reaktionsprodukts unter vermindertem Druck bis auf 220grad; |
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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