Basic information
- Name:
Benzenesulfonic acid,3-amino-
- Superlist Name:
- Metanilic acid
- CAS No.:
121-47-1
- Molecular Structure:
- Formula:
- C6H7NO3S
- Molecular Weight:
- 173.19
- Synonyms:
- Metanilicacid (6CI,8CI);3-Aminobenzenesulfonic acid;3-Aminophenylsulfonic acid;3-Anilinesulfonic acid;3-Sulfoaniline;NSC 4504;m-Aminobenzenesulfonic acid;m-Aminophenylsulfonic acid;m-Anilinesulfonicacid;
- EINECS:
- 204-473-6
- Density:
- 1.512 g/cm3
- Melting Point:
- >300 °C(lit.)
- Solubility:
- slightly soluble in water
- Appearance:
- white powder
- Hazard Symbols:
Xn- Risk Codes:
- 20/21/22
- Safety Description:
- 23-28-28A-25 Details
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Specification
The Metanilic acid is an organic compound with the formula C6H7NO3S. The IUPAC name of this chemical is 3-aminobenzenesulfonic acid. With the CAS registry number 121-47-1, it is also named as benzenesulfonic acid, 3-amino-. The product's categories are Intermediates of Dyes and Pigments; Inorganic & Organic Chemicals. Besides, it is a white powder, which should be stored in a dark and closed place. It is used as dye intermediates, which is for the preparation of acid and reactive dye.
Physical properties about Metanilic acid are: (1)/LogP: -1.06; (2)ACD/LogD (pH 5.5): -4.48; (3)ACD/LogD (pH 7.4): -4.56; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.99 Å2; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 40.71 cm3; (14)Molar Volume: 114.4 cm3; (15)Polarizability: 16.14×10-24cm3; (16)Surface Tension: 67.5 dyne/cm; (17)Density: 1.512 g/cm3.
Preparation: this chemical can be prepared by nitrobenzene through sulfonation, reduction and acid analysis.
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Uses of Metanilic acid : it can be used to produce CN3O6(1-)*Cs(1+) and dicesium salt of N-nitrometanilic acid at temperature of 25 °C. It will need reagent cesium hydroxide 30 hours. The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). When you are using it, avoid contact with eyes and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc(N)c1
(2)InChI: InChI=1/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
(3)InChIKey: ZAJAQTYSTDTMCU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
(5)Std. InChIKey: ZAJAQTYSTDTMCU-UHFFFAOYSA-N