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| CAS No.: | 2494-88-4 |
|---|---|
| Name: | Ethanol,2-[(3-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate) |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H11NO6S2 |
| Molecular Weight: | 281.31 |
| Synonyms: | Ethanol,2-[(3-aminophenyl)sulfonyl]-, hydrogen sulfate (ester) (9CI);Ethanol,2-metanilyl-, hydrogen sulfate (7CI);Ethanol, 2-metanilyl-, hydrogen sulfate(ester) (8CI);3-(2-Sulfatoethylsulfonyl)aniline;3-(b-Sulfatoethylsulfonyl)aniline;3-Aminophenyl 2-sulfatoethyl sulfone;3-Aminophenyl b-sulfatoethyl sulfone;m-(2-Sulfatoethylsulfonyl)aniline;m-(b-Sulfatoethylsulfonyl)aniline;m-Aminophenyl b-sulfatoethyl sulfone;b-Sulfatoethyl m-aminophenylsulfone; |
| EINECS: | 219-668-1 |
| Density: | 1.608 g/cm3 |
| Melting Point: | N/A |
| Boiling Point: | N/A |
| Flash Point: | N/A |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 140.52000 |
| LogP: | 2.60470 |
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The Ethanol,2-[(3-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), with the CAS registry number 2494-88-4, is also known as CID75614. It belongs to the product category of Intermediates of Dyes and Pigments . Its EINECS registry number is 219-668-1. This chemical's molecular formula is C8H11NO6S2 and molecular weight is 281.30604. Its IUPAC name is called 2-(3-aminophenyl)sulfonylethyl hydrogen sulfate.
Physical properties of Ethanol,2-[(3-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate): (1)ACD/LogP: -1.15; (2)ACD/LogD (pH 5.5): -4.65; (3)ACD/LogD (pH 7.4): -4.65; (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: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 60.54 cm3; (13)Molar Volume: 174.8 cm3; (14)Surface Tension: 71.3 dyne/cm; (15)Density: 1.608 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)N
(2)InChI: InChI=1S/C8H11NO6S2/c9-7-2-1-3-8(6-7)16(10,11)5-4-15-17(12,13)14/h1-3,6H,4-5,9H2,(H,12,13,14)
(3)InChIKey: BCLOBWIFURSERL-UHFFFAOYSA-N
