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| Name |
1-Naphthalenesulfonicacid, 6,8-bis(phenylamino)- |
EINECS | 204-970-8 |
| CAS No. | 129-93-1 | Density | 1.402 g/cm3 |
| PSA | 86.81000 | LogP | 6.80050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H18N2O3S | Boiling Point | N/A |
| Molecular Weight | 390.463 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6,8-Dianilinonaphthalene-1-sulfonic acid; |
1-Naphthalenesulfonicacid, 6,8-bis(phenylamino)- Synthetic route
- 129-91-9
1-naphthylamine-3,8-disulfonic acid
- 142-04-1
aniline hydrochloride
- 62-53-3
aniline
- 129-93-1
6,8-dianilino-naphthalene-1-sulfonic acid
| Conditions | Yield |
|---|---|
| at 150 - 170℃; |
- 129-91-9
1-naphthylamine-3,8-disulfonic acid
- 62-53-3
aniline
- 129-93-1
6,8-dianilino-naphthalene-1-sulfonic acid
| Conditions | Yield |
|---|---|
| With aniline hydrochloride at 150 - 170℃; |
| Conditions | Yield |
|---|---|
| With ethanol Reduktion des enstandenen Azofarbstoffes mit Eisen oder Zinkstaub und nachfolgenden Einleiten von Luft in die mit Ammoniak versetzte Reaktions-Loesung; | |
| With acetic acid Reduktion des enstandenen Azofarbstoffes mit Eisen oder Zinkstaub und nachfolgenden Einleiten von Luft in die mit Ammoniak versetzte Reaktions-Loesung; |
- 64-17-5
ethanol
- 119-70-0
4,4'-diaminodiphenylamine-2'-sulfonic acid
- 129-93-1
6,8-dianilino-naphthalene-1-sulfonic acid
- 2876-22-4
phenazin-1-ylamine
| Conditions | Yield |
|---|---|
| With ammonia; sodium carbonate In water |
1-Naphthalenesulfonicacid, 6,8-bis(phenylamino)- Specification
The 1-Naphthalenesulfonicacid, 6,8-bis(phenylamino)-, with the CAS registry number 129-93-1, is also known as 6,8-Dianilinonaphthalene-1-sulfonic acid. Its EINECS registry number is 204-970-8. This chemical's molecular formula is C22H18N2O3S and molecular weight is 390.4549. What's more, its systematic name is called 6,8-Bis(phenylamino)naphthalene-1-sulfonic acid.
Physical properties about 1-Naphthalenesulfonicacid, 6,8-bis(phenylamino)- are: (1)ACD/LogP: 3.75; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.25; (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: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.23 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 111.37 cm3; (15)Molar Volume: 278.4 cm3; (16)Polarizability: 44.15×10-24 cm3; (17)Surface Tension: 70.1 dyne/cm; (18)Density: 1.402 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c3cccc2cc(cc(Nc1ccccc1)c23)Nc4ccccc4
(2) InChI: InChI=1/C22H18N2O3S/c25-28(26,27)21-13-7-8-16-14-19(23-17-9-3-1-4-10-17)15-20(22(16)21)24-18-11-5-2-6-12-18/h1-15,23-24H,(H,25,26,27)
(3) InChIKey: USFSONWQSVCJBO-UHFFFAOYAY
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