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CAS No.: | 75742-13-1 |
---|---|
Name: | 3,3'-DIAZIDODIPHENYL SULFONE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H8N6O2S |
Molecular Weight: | 300.301 |
Synonyms: | 3,3'-Diazidodiphenylsulfone;3-Azidophenyl sulfone;1,1'-Sulfonylbis(3-azidobenzene);Bis(3-azidophenyl) sulfone;m-Azidophenyl sulfone; |
EINECS: | 278-300-8 |
Density: | 1.4492 (rough estimate) |
Melting Point: | 110-114 °C |
Appearance: | Yellow crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/22-36/37/38 |
Safety: | 26-36 |
PSA: | 142.02000 |
LogP: | 4.38932 |
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The Benzene,1,1'-sulfonylbis[3-azido-, with the CAS registry number 75742-13-1, is also known as 3-Azidophenyl sulfone. Its EINECS number is 278-300-8. This chemical's molecular formula is C12H8N6O2S and molecular weight is 300.30. What's more, its IUPAC name is 1-azido-3-(3-azidophenyl)sulfonylbenzene. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of Benzene,1,1'-sulfonylbis[3-azido- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 583.31; (6)ACD/BCF (pH 7.4): 583.31; (7)ACD/KOC (pH 5.5): 3322.27; (8)ACD/KOC (pH 7.4): 3322.27; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.24 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation and if swallowed. What's more, the product is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(\N=[N+]=[N-])ccc1)c2cc(/N=[N+]=[N-])ccc2
(2)Std. InChI: InChI=1S/C12H8N6O2S/c13-17-15-9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)16-18-14/h1-8H
(3)Std. InChIKey: LHCUYYJTVIYFEQ-UHFFFAOYSA-N