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| CAS No.: | 84806-27-9 |
|---|---|
| Name: | 7-FLUOROBENZO-2-OXA-1,3-DIAZOLE-4-SULFONIC ACID AMMONIUM SALT |
| Molecular Structure: | |
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| Formula: | C6H6FN3O4S |
| Molecular Weight: | 235.19 |
| Synonyms: | 2,1,3-Benzoxadiazole-4-sulfonicacid, 7-fluoro-, ammonium salt (9CI);4-Benzofurazansulfonic acid, 7-fluoro-,ammonium salt;7-Fluorobenzofurazan-4-sulfonic acid ammonium salt;Ammonium4-fluoro-7-sulfobenzofurazan;Ammonium7-fluorobenz-2-oxa-1,3-diazole-4-sulfonate;SBD-F; |
| Density: | 1.762 g/cm3 |
| Melting Point: | >290 °C |
| Boiling Point: | 400.9 °C |
| Flash Point: | 196.3 °C |
| Appearance: | Yellow-Green Powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 104.91000 |
| LogP: | 2.01330 |
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- Total:34 Page 1 of 1 1
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Specification
The 2,1,3-Benzoxadiazole-4-sulfonicacid, 7-fluoro-, ammonium salt (1:1), with the CAS registry number 84806-27-9, is also known as Ammonium7-fluorobenz-2-oxa-1,3-diazole-4-sulfonate. It belongs to the product categories of Fluorescent Labels and Indicators; Fluorescent Labels & Indicators; MTS & Sulfhydryl Active Reagents. This chemical's molecular formula is C6H6FN3O4S and molecular weight is 235.19. What's more, its systematic name is 7-fluoro-2,1,3-benzoxadiazole-4-sulfonic acid ammoniate (1:1). Its classification codes are: (1)Coloring Agents; (2)Fluorescent dyes; (3)Indicators and Reagents; (4)Luminescent Agents. It should be sealed and stored in a cool and dry place. What's more, it should be protected from acids, bases and heat.
Physical properties of 2,1,3-Benzoxadiazole-4-sulfonicacid, 7-fluoro-, ammonium salt (1:1) are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.24; (4)ACD/LogD (pH 7.4): -3.24; (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: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 90.67 Å2; (13)Flash Point: 242.8 °C; (14)Enthalpy of Vaporization: 78.15 kJ/mol; (15)Boiling Point: 477.9 °C at 760 mmHg; (16)Vapour Pressure: 6.1E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It 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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(F)c2nonc12.N
(2)InChI: InChI=1S/C6H3FN2O4S.H3N/c7-3-1-2-4(14(10,11)12)6-5(3)8-13-9-6;/h1-2H,(H,10,11,12);1H3
(3)InChIKey: JXLHNMVSKXFWAO-UHFFFAOYSA-N