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Cas Database |
| Name |
7-Amino-1,3,6-naphthalenetrisulfonic acid |
EINECS | 204-229-9 |
| CAS No. | 118-03-6 | Density | 1.974 g/cm3 |
| PSA | 214.27000 | LogP | 3.98570 |
| Solubility | 1000g/L at 25℃ | Melting Point |
140-143°C(lit.) |
| Formula | C10H9NO9S3 | Boiling Point | 702.53℃[at 101 325 Pa] |
| Molecular Weight | 383.381 | Flash Point | >230°F |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R36/37/38; R22 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
1,3,6-Naphthalenetrisulfonic acid, 7-amino-;7-Aminonaphthalene-1,3,6-trisulphonic acid;2-Amino-3,6,8-naphthalenetrisulfonic acid;2-Naphthylamine-3,6,8-trisulfonic acid;Kyselina 2-naftylamin-3,6,8-trisulfonova;Kyselina kochova;BRN 2681042;NSC 7561; |
Article Data | 13 |
7-Amino-1,3,6-naphthalenetrisulfonic acid Synthetic route
- 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid at 50℃; for 6.89h; electrochemical reduction; | 98.1% |
- 6259-66-1
7-hydroxy-naphthalene-1,3,6-trisulfonic acid
- 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid
| Conditions | Yield |
|---|---|
| With ammonia |
- 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid at 120 - 130℃; |
- 38267-31-1
8-nitronaphthalene-1,3,6-trisulphonic acid
- 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid
| Conditions | Yield |
|---|---|
| With ammonia unter Druck; |
| Conditions | Yield |
|---|---|
| at 120 - 130℃; |
- 38267-31-1
8-nitronaphthalene-1,3,6-trisulphonic acid
- 7664-41-7
ammonia
- 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid
| Conditions | Yield |
|---|---|
| at 100℃; unter Druck; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sulfuric acid / 40 - 60 °C 2: potassium chloride; ammonia; ammonium hydrogen sulfite / water / 130 °C 3: sulfuric acid / 130 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 130℃; Temperature; Inert atmosphere; | 195.3 g |
- 108-77-0
1,3,5-trichloro-2,4,6-triazine
- 25711-72-2
1-amino-3-ureidobenzene
- 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid
| Conditions | Yield |
|---|---|
| Stage #1: 7-aminonaphthalene-1,3,6-trisulfonic acid With hydrogenchloride; sodium carbonate; sodium nitrite In water for 1h; Stage #2: 1-amino-3-ureidobenzene With sodium carbonate In water at 0 - 5℃; for 2h; pH=6 - 6.5; Stage #3: 1,3,5-trichloro-2,4,6-triazine In water at 0 - 35℃; for 3h; pH=6 - 6.5; | 82% |
7-Amino-1,3,6-naphthalenetrisulfonic acid Consensus Reports
7-Amino-1,3,6-naphthalenetrisulfonic acid Specification
The 7-Amino-1,3,6-naphthalenetrisulfonic acid with CAS registry number of 118-03-6 is also known as 1,3,6-Naphthalenetrisulfonic acid, 7-amino-. The IUPAC name is 7-Aminonaphthalene-1,3,6-trisulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments; Organic Acids. Its EINECS registry number is 204-229-9. In addition, the formula is C10H9NO9S3 and the molecular weight is 383.37. This chemical should be stored in ventilated, cool and dry room. What's more, it is used for manufacture of dyes and acid-2R.
Physical properties about 7-Amino-1,3,6-naphthalenetrisulfonic acid are: (1)XLogP3-AA: -0.7; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 10; (4)Rotatable Bond Count: 3; (5)Exact Mass: 382.943943; (6)MonoIsotopic Mass: 382.943943; (7)Topological Polar Surface Area: 214; (8)Heavy Atom Count: 23; (9)Complexity: 756; (10)Covalently-Bonded Unit Count: 1.
Preparation of 7-Amino-1,3,6-naphthalenetrisulfonic acid: it is prepared by reaction of 1-nitronaphthalene-3,6,8-trisulfonic acid. The reaction needs reagent aq. H2SO4 at the temperature of 50 °C with other condition of electrochemical reduction for 6.89 hours. The yield is about 98.1%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O
2. InChI: InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,
13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
3. InChIKey: GFPQSWFFPRQEHH-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 13gm/kg (13000mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986. |
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