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- 2-Naphthalenesulfonicacid, 6-(acetylamino)-
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Cas Database |
| Name |
2-Naphthalenesulfonicacid, 6-(acetylamino)- |
EINECS | 269-189-7 |
| CAS No. | 68189-32-2 | Density | 1.478 g/cm3 |
| PSA | 91.85000 | LogP | 3.19870 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H11NO4S | Boiling Point | N/A |
| Molecular Weight | 265.29 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Naphthalenesulfonicacid, 6-acetamido- (4CI);6-acetamidonaphthalene-2-sulphonic acid;6-Acetamido-2-naphthalenesulfonic acid;6-Acetylamino-2-naphthalenesulfonicacid; |
Article Data | 4 |
2-Naphthalenesulfonicacid, 6-(acetylamino)- Synthetic route
- 108-24-7
acetic anhydride
- 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid
| Conditions | Yield |
|---|---|
| With pyridine |
| Conditions | Yield |
|---|---|
| In water at 25℃; | 144.5 g |
- 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid
- 1221150-08-8
C35H23N5O11S5
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: chlorosulfonic acid / 1 h / 20 °C 2.1: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 3.1: hydrogenchloride / water / 2.5 h / 80 °C 4.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 10 °C 4.2: 20 - 25 °C View Scheme |
- 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: chlorosulfonic acid / 1 h / 20 °C 2.1: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 3.1: hydrogenchloride / water / 2.5 h / 80 °C 4.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 10 °C 4.2: 20 - 25 °C 5.1: isopentyl nitrite / water / 2.5 h / 45 °C View Scheme |
- 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid
- 28131-80-8
6-Acetylamino-2-naphthalenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid at 20℃; for 1h; | 49.1 g |
- 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid
- 1221150-06-6
C22H18N2O12S4
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: chlorosulfonic acid / 1 h / 20 °C 2: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 View Scheme |
- 68189-32-2
6-acetylamino-naphthalene-2-sulfonic acid
- 1221150-07-7
C20H16N2O11S4
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: chlorosulfonic acid / 1 h / 20 °C 2: sodium carbonate / water; acetone / 10 - 13 °C / pH 7 - 8 3: hydrogenchloride / water / 2.5 h / 80 °C View Scheme |
2-Naphthalenesulfonicacid, 6-(acetylamino)- Specification
The CAS register number of 2-Naphthalenesulfonicacid, 6-(acetylamino)- is 68189-32-2. It also can be called as 6-Acetylamino-2-naphthalenesulfonicacid and the systematic name about this chemical is 6-(acetylamino)naphthalene-2-sulfonic acid. The molecular formula about this chemical is C12H11NO4S and the molecular weight is 265.28504.
Physical properties about 2-Naphthalenesulfonicacid, 6-(acetylamino)- are: (1)ACD/LogP: 0.57; (2)ACD/LogD (pH 5.5): -2.93; (3)ACD/LogD (pH 7.4): -2.94; (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: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.06 Å2; (12)Index of Refraction: 1.678; (13)Molar Refractivity: 67.68 cm3; (14)Molar Volume: 179.4 cm3; (15)Polarizability: 26.83x10-24cm3; (16)Surface Tension: 68.9 dyne/cm; (17)Density: 1.478 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2ccc1c(ccc(c1)NC(=O)C)c2
(2)InChI: InChI=1/C12H11NO4S/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,13,14)(H,15,16,17)
(3)InChIKey: ANUPUAXCNMXHNF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H11NO4S/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,13,14)(H,15,16,17)
(5)Std. InChIKey: ANUPUAXCNMXHNF-UHFFFAOYSA-N
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