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2-Aminophenol-4-sulfonic acid

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Name

2-Aminophenol-4-sulfonic acid

EINECS 202-662-8
CAS No. 98-37-3 Density 1.675 g/cm3
PSA 109.00000 LogP 1.88310
Solubility <0.1 g/100 mL at 21.5℃ Melting Point ≥300°C(lit.)
Formula C6H7NO4S Boiling Point 398.09℃[at 101 325 Pa]
Molecular Weight 189.192 Flash Point N/A
Transport Information UN 2585 8/PG 3 Appearance brown crystals
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 98-37-3 (Benzenesulfonic acid,3-amino-4-hydroxy-) Hazard Symbols CorrosiveC
Synonyms

1-Phenol-4-sulfonicacid, 2-amino- (4CI);Metanilic acid, 4-hydroxy- (7CI,8CI);1-Amino-2-hydroxy-5-benzenesulfonic acid;1-Hydroxy-2-aminobenzene-4-sulfonicacid;2-Amino-1-phenol-4-sulfonic acid;2-Amino-4-sulfophenol;2-Aminophenol-4-sulfonic acid;2-Hydroxy-5-sulfoaniline;3-Amino-4-hydroxybenzenesulfonic acid;4-Hydroxy-3-aminobenzenesulfonic acid;NSC 1491;o-Aminophenol-p-sulfonic acid;

Article Data 15

2-Aminophenol-4-sulfonic acid Synthetic route

121-18-6

3-nitro-4-chlorobenzenesulfonic acid

98-37-3

2-aminophenol-4-sulfonic acid

Conditions
ConditionsYield
With sodium hydrogensulfite
616-85-3

4-hydroxy-3-nitrobenzene sulfonic acid

98-37-3

2-aminophenol-4-sulfonic acid

Conditions
ConditionsYield
With hydrogenchloride; tin
With sodium sulfide
95-55-6

2-amino-phenol

98-37-3

2-aminophenol-4-sulfonic acid

Conditions
ConditionsYield
With sulfuric acid
3-nitro-4-hydroxy-benzene-sulfonic acid-(1)

3-nitro-4-hydroxy-benzene-sulfonic acid-(1)

98-37-3

2-aminophenol-4-sulfonic acid

Conditions
ConditionsYield
With sodium sulfide; sodium hydroxide
7664-93-9

sulfuric acid

95-55-6

2-amino-phenol

98-37-3

2-aminophenol-4-sulfonic acid

disodium-salt of/the/ 3-nitro-4-hydroxy-benzene-sulfonic acid-(1)

disodium-salt of/the/ 3-nitro-4-hydroxy-benzene-sulfonic acid-(1)

98-37-3

2-aminophenol-4-sulfonic acid

Conditions
ConditionsYield
With water; nickel at 70 - 100℃; Hydrogenation;
121-18-6

3-nitro-4-chlorobenzenesulfonic acid

sodium hydrogensulfite

98-37-3

2-aminophenol-4-sulfonic acid

108-24-7

acetic anhydride

98-37-3

2-aminophenol-4-sulfonic acid

123687-02-5

3-acetamido-4-acetoxybenzenesulfonic acid

Conditions
ConditionsYield
With sulfuric acid In methanol for 4h; Reflux;97%
With sulfuric acid In methanol for 4h; Reflux;97%
With pyridine
98-88-4

benzoyl chloride

98-37-3

2-aminophenol-4-sulfonic acid

23117-22-8

3-benzoylamino-4-hydroxy-benzenesulfonic acid

Conditions
ConditionsYield
In water96.3%
444-30-4

2-(trifluoromethyl)phenol

98-37-3

2-aminophenol-4-sulfonic acid

1276122-50-9

2-(2-hydroxyphenyl)benzo[d]oxazole-5-sulfonic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 80℃; for 2h;92%

2-Aminophenol-4-sulfonic acid Specification

The Benzenesulfonic acid,3-amino-4-hydroxy-, with the CAS registry number 98-37-3 and EINECS registry number 202-662-8, has the systematic name of 3-amino-4-hydroxybenzenesulfonic acid. It is a kind of brown crystals, and belongs to the proudct category of Intermediates of Dyes and Pigments. And the molecular formula of this chemical is C6H7NO4S.

The physical properties of Benzenesulfonic acid,3-amino-4-hydroxy- are as following: (1)ACD/LogP: -2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.35; (4)ACD/LogD (pH 7.4): -6.5; (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: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 42.24 cm3; (15)Molar Volume: 112.9 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 85.5 dyne/cm; (18)Density: 1.675 g/cm3.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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 label where possible).
 
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(O)c(N)c1
(2)InChI: InChI=1/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11)
(3)InChIKey: ULUIMLJNTCECJU-UHFFFAOYAT

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