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4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid
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Name

4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid

 EINECS N/A
CAS No. 88-38-0 Density 1.1565 (rough estimate)
PSA 275.02000 LogP 11.78160
Solubility N/A Melting Point N/A
Formula C44H36 N12 O6 S2 Boiling Point N/A
Molecular Weight 893.04 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx. Risk Codes N/A
Molecular Structure Molecular Structure of 88-38-0 (4,4'-bis[4,6-bis(anilino)-1,3,5-triazin-2-yl]aminostilbene-2,2'-disulphonic acid) Hazard Symbols N/A
Synonyms

2,2'-Stilbenedisulfonicacid, 4,4'-bis[(4,6-dianilino-s-triazin-2-yl)amino]- (6CI,7CI,8CI);4,4'-Bis(2,4-dianilino-s-triazin-6-ylamino)-2,2'-stilbenedisulfonic acid;4,4'-Bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulfonic acid;Belotex PAD; NSC 19731; Photine D

 

4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid Chemical Properties

Molecular Structure of 4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid (CAS NO. 88-38-0):

IUPAC Name: 5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid 
Empirical Formula: C44H36N12O6S2 
Molecular Weight: 892.9634  
H bond acceptors: 18
H bond donors: 8
Freely Rotating Bonds: 10
Polar Surface Area: 200.28 Å2
Index of Refraction: 1.769
Molar Refractivity: 238.27 cm3
Molar Volume: 573.7 cm3
Surface Tension: 99 dyne/cm 
Density: 1.556 g/cm3 
Index of Refraction: 1.769 
InChI
InChI=1/C44H36N12O6S2/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56)/b22-21+
Smiles
S(c1cc(Nc2nc(Nc3ccccc3)nc(n2)Nc2ccccc2)ccc1\C=C\c1c(S(=O)(=O)O)cc(Nc2nc(Nc3ccccc3)nc(n2)Nc2ccccc2)cc1)(=O)(=O)O

4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid Toxicity Data With Reference

1.    

orl-rat LD50:>10 g/kg

     KHZDAN    Khigiena i Zdraveopazvane. 29 (2)(1986),24.
2.    

skn-rat LD50:>3 g/kg

     KHZDAN    Khigiena i Zdraveopazvane. 29 (2)(1986),24.

4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid Safety Profile

Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.

4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid Specification

 4,4′-Bis((4,6-dianilino-s-triazin-2-yl)-amino)-2,2′-stilbenedisulfonic acid ,its CAS number is 88-38-0,it can be called 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4,6-dianilino-s-triazin-2-yl)amino)- ; benzenesulfonic acid, 2,2'-[(E)-1,2-ethenediyl]bis[5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]- ; 2,2'-(E)-Ethene-1,2-diylbis{5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid} ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4,6-bis(phenylamino)- 1,3,5-triazin-2-yl)amino)- .

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