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4,4'-Diamino-2,2'-stilbenedisulfonic acid

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Name

4,4'-Diamino-2,2'-stilbenedisulfonic acid

EINECS 201-325-2
CAS No. 81-11-8 Density 1.662 g/cm3
PSA 177.54000 LogP 4.83880
Solubility <0.1 g/100 mL at 23 °C in water Melting Point 300 °C
Formula C14H14N2O6S2 Boiling Point N/A
Molecular Weight 370.407 Flash Point N/A
Transport Information UN 2583 Appearance Light yellow powder
Safety 24/25-45-36/37/39-26-22 Risk Codes 34-22
Molecular Structure Molecular Structure of 81-11-8 (4,4'-Diamino-2,2'-stilbenedisulfonic acid) Hazard Symbols CorrosiveC, HarmfulXn
Synonyms

2,2'-Stilbenedisulfonicacid, 4,4'-diamino- (6CI,7CI,8CI);2,2'-Disulfo-4,4'-stilbenediamine;4,4'-Diaminostilben-2,2'-disulfonic acid;Amsonic acid;DASD;DSDacid;Diaminostilbenedisulfonic acid;Flavonic acid;NSC 163;p,p'-Diaminodiphenylethylene-o,o'-disulfonic acid;p,p'-Diaminostilbene-o,o'-disulfonic acid;

Article Data 24

4,4'-Diamino-2,2'-stilbenedisulfonic acid Consensus Reports

FLAVONIC ACID(81-11-8) is reported in EPA TSCA Inventory.

4,4'-Diamino-2,2'-stilbenedisulfonic acid Specification

The IUPAC name of Flavonic acid is 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid. With the CAS registry number 81-11-8, it is also named as 4,4'-Diamino-2,2'-stilbenedisulfonic acid. The product's categories are intermediates of dyes and pigments; stilbenes; fluorescent labels & indicators. It is light yellow powder which is very slightly soluble in water, soluble in alcohol and ether, and easily soluble in alkaline solution. In addition, this chemical is stable, combustible and incompatible with iron, strong oxidizing agents. Furthermore, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.14; (4)ACD/LogD (pH 7.4): -6.21; (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: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.726; (13)Molar Refractivity: 88.56 cm3; (14)Molar Volume: 222.7 cm3; (15)Polarizability: 35.11×10-24 cm3; (16)Surface Tension: 92.5 dyne/cm; (17)Rotatable Bond Count: 4; (18)Tautomer Count: 2; (19)Exact Mass: 370.029328; (20)MonoIsotopic Mass: 370.029328; (21)Topological Polar Surface Area: 178; (22)Heavy Atom Count: 24; (23)Complexity: 606.

Preparation of Flavonic acid: It can be ontained by the following methods:





this product

Uses of Flavonic acid: It is used in the production of fluorescent whitening agent, ChrysophenineG, and Direct Yellow R. And it is also used as insecticide.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed, so people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O)c1c(ccc(N)c1)\C=C\c2ccc(N)cc2S(=O)(=O)O
2. InChI:InChI=1/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 47gm/kg (47000mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED

KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.

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