Products Categories
| CAS No.: | 6522-86-7 |
|---|---|
| Name: | 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C19H12 Cl2 N6 O7 S2 |
| Molecular Weight: | 571.378 |
| Synonyms: | 1-Naphthol-3,6-disulfonicacid, 8-[(4,6-dichloro-s-triazin-2-yl)amino]-2-phenylazo- (6CI);2,7-Naphthalenedisulfonic acid,5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)- (9CI);2,7-Naphthalenedisulfonic acid,5-[(4,6-dichloro-s-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)- (7CI,8CI) |
| Density: | 1.88g/cm3 |
| Boiling Point: | 326.7°C (rough estimate) |
| Safety: | Mildly toxic by ingestion. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. |
| PSA: | 221.15000 |
| LogP: | 6.92420 |
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Chemistry
Product Name: Cerven brilantni ostazinova S-5B (CAS NO.6522-86-7)
Molecular Formula: C19H12Cl2N6O7S2
Molecular Weight: 571.37058g/mol
Mol File: 6522-86-7.mol
Density: 1.88 g/cm3
Surface Tension: 86.3 dyne/cm
XLogP3-AA: 3.7
H-Bond Donor: 4
H-Bond Acceptor: 17
IUPAC Name: (3Z)-5-[(4,6-dichloro-1,3,
5-triazin-2-yl)amino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,
7-disulfonic acid
Canonical SMILES: C1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)O)
S(=O)(=O)O
Isomeric SMILES: C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=
O)O)S(=O)(=O)O
InChI: InChI=1S/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,
30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10/h1-8,
26H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)/b27-15+
InChIKey: JTLZZMCBJJNFAR-JFLMPSFJSA-N
Toxicity Data With Reference
| 1. | eye-rbt 100 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,235. | ||
| 2. | orl-rat LD50:7460 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,235. |
Safety Profile
Mildly toxic by ingestion. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
Specification
Cerven brilantni ostazinova S-5B ,its CAS NO. is 6522-86-7,the synonyms is 5-26-08-00031 (Beilstein Handbook Reference) ; BRN 0380787 ; EINECS 229-413-6 ; 2,7-Naphthalenedisulfonic acid, 5-(3,5-dichloro-s-triazinylamino)-4-hydroxy-3-phenylazo- ; 5-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid .