Basic information
- Name:
Benzenesulfonic acid,3-amino-4-hydroxy-
- Superlist Name:
- 2-Aminophenol-4-sulfonic acid
- CAS No.:
98-37-3
- Molecular Structure:
- Formula:
- C6H7NO4S
- Molecular Weight:
- 189.19
- 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
- Appearance:
- brown crystals
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 2585 8/PG 3
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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
