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CAS No.: | 1668-00-4 |
---|---|
Name: | ARSENAZO III SODIUM SALT |
Molecular Structure: | |
Formula: | C22H18As2N4O14S2 |
Molecular Weight: | 776.379 |
Synonyms: | 2,7-Naphthalenedisulfonicacid, 3,6-bis[(2-arsonophenyl)azo]-4,5-dihydroxy- (9CI);2,7-Naphthalenedisulfonic acid, 3,6-bis[(o-arsonophenyl)azo]-4,5-dihydroxy-(8CI);Benzenearsonic acid,2,2'-(1,8-dihydroxy-3,6-disulfo-2,7-naphthylenebisazo)di- (6CI);2,7-Bis(2-arsonophenylazo)-1,8-dihydroxy-3,6-naphthalenedisulfonic acid;NSC 91528; |
EINECS: | 216-788-6 |
Melting Point: | >320 °C(lit.) |
Hazard Symbols: | T,N |
Risk Codes: | 23/25-50/53 |
Safety: | 20/21-28-45-60-61 |
Transport Information: | UN 3465 6.1/PG 2 |
PSA: | 330.46000 |
LogP: | 2.85880 |
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This chemical is called 2,7-Naphthalenedisulfonicacid, 3,6-bis[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy-, and its CAS registry number is 1668-00-4. With the molecular formula of C22H18As2N4O14S2, its molecular weight is 798.35. Additionally, its classification codes are Coloring Agents; Indicators and reagents.
Other characteristics of the 2,7-Naphthalenedisulfonicacid, 3,6-bis[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy- can be summarised as followings: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 18; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 239.9 Å2.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic by inhalation and if swallowed. When using it, do not eat or drink or smoke. After contacting with skin, wash immediately with plenty of soap-suds. Avoid releasing to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)C=4\C(=N/Nc1ccccc1[As](=O)(O)O)C(=O)\C3=C(\C=C(/C(=N\Nc2ccccc2[As](=O)(O)O)C3=O)S(=O)(=O)O)/C=4
2.InChI: InChI=1/C22H18As2N4O14S2/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36/h1-10,25-26H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)/b27-19+,28-20+
3.InChIKey: TVMZRHVOFZTNET-MKYUKRCKBK