CAS No.98-37-3,Benzenesulfonic acid,3-amino-4-hydroxy- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	98-37-3
Name:	Benzenesulfonic acid,3-amino-4-hydroxy-
Article Data:	15

Formula:	C₆H₇NO₄S
Molecular Weight:	189.192
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;
EINECS:	202-662-8
Density:	1.675 g/cm³
Melting Point:	≥300°C(lit.)
Boiling Point:	398.09℃[at 101 325 Pa]
Solubility:	<0.1 g/100 mL at 21.5℃
Appearance:	brown crystals
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 2585 8/PG 3
PSA:	109.00000
LogP:	1.88310

Synthetic route

: 121-18-6
3-nitro-4-chlorobenzenesulfonic acid

: 98-37-3
2-aminophenol-4-sulfonic acid

Conditions

Conditions	Yield
With sodium hydrogensulfite

: 616-85-3
4-hydroxy-3-nitrobenzene sulfonic acid

: 98-37-3
2-aminophenol-4-sulfonic acid

Conditions

Conditions	Yield
With hydrogenchloride; tin
With sodium sulfide

: 95-55-6
2-amino-phenol

: 98-37-3
2-aminophenol-4-sulfonic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In water	96.3%

: 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

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

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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