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| CAS No.: | 3547-38-4 |
|---|---|
| Name: | NEOTHORIN |
| Molecular Structure: | |
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|
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| Formula: | C16H11AsN2Na2O11S2 |
| Molecular Weight: | 614.285 |
| Synonyms: | 2,7-Naphthalenedisulfonicacid, 3-[(2-arsonophenyl)azo]-4,5-dihydroxy-, disodium salt (9CI);2,7-Naphthalenedisulfonic acid, 3-[(o-arsonophenyl)azo]-4,5-dihydroxy-,disodium salt (8CI); |
| EINECS: | 222-600-3 |
| Melting Point: | ≥300 °C(lit.) |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 23/25-50/53 |
| Safety: | 20/21-28-45-60-61 |
| Transport Information: | UN 3465 |
| PSA: | 253.87000 |
| LogP: | 2.19720 |
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- Total:18 Page 1 of 1 1
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Specification
This chemical is called 2,7-Naphthalenedisulfonic acid, 3-[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy-, sodium salt (1:2), and its systematic name is disodium 3-(2-arsonophenyl)azo-4,5-dihydroxy-naphthalene-2,7-disulfonate. With the molecular formula of C16H11AsN2Na2O11S2, its molecular weight is 592.30. The CAS registry number of this chemical is 3547-38-4. Additionally, its product categories are Analytical Chemistry; As (Arsenic) Compounds; Azo Compounds; Chelating Reagents; Classes of Metal Compounds; Naphthylazo Compounds; Semimetal Compounds.
Other characteristics of the 2,7-Naphthalenedisulfonic acid, 3-[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy-, sodium salt (1:2) can be summarised as followings: (1)#H bond acceptors: 13 ; (2)#H bond donors: 6 ; (3)#Freely Rotating Bonds: 7 ; (4)Polar Surface Area: 253.87 Å2.
When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Its container must be disposed of as hazardous waste. Avoid releasing it to the environment. In addition, it's harmful if swallowed. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C16H13AsN2O11S2/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)/b19-18+
2.Smiles: Oc1cc(cc2cc(c(\N=N\c3c(cccc3)[As](O)(O)=O)c(c12)O)S(O)(=O)=O)S(O)(=O)=O