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| CAS No.: | 60230-36-6 |
|---|---|
| Name: | 2,6-Difluorobenzenesulfonyl chloride |
| Molecular Structure: | |
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| Formula: | C6H3ClF2O2S |
| Molecular Weight: | 212.604 |
| Synonyms: | 2,6-difluorobenzenesulfonyl chloride (IM OCS);Benzenesulfonyl chloride, 2,6-difluoro-; |
| EINECS: | -0 |
| Density: | 1.58 g/cm3 |
| Boiling Point: | 225.4 °C at 760 mmHg |
| Flash Point: | 90.1 °C |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 42.52000 |
| LogP: | 2.97310 |
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Specification
The IUPAC name of this chemical is 2,6-Difluorobenzenesulfonyl chloride. With the CAS registry number 60230-36-6, it is also named as Benzenesulfonyl chloride, 2,6-difluoro-. In addition, the molecular formula is C6H3ClF2O2S and the molecular weight is 212.60. It is a kind of clear yellow liquid and belongs to the classes of Sulfonylhalide; Fluorobenzene; Aromatic Halides (substituted); Benzenesulfonyl chloride; Miscellaneous; Benzenes; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. What's more, it should be stored in a cool, ventilated and dry place.
Physical properties about 2,6-Difluorobenzenesulfonyl chloride are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.5; (6)ACD/BCF (pH 7.4): 10.5; (7)ACD/KOC (pH 5.5): 187.3; (8)ACD/KOC (pH 7.4): 187.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 40.62 cm3; (15)Molar Volume: 134.5 cm3; (16)Polarizability: 16.1 ×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.58 g/cm3; (19)Flash Point: 90.1 °C; (20)Enthalpy of Vaporization: 44.32 kJ/mol; (21)Boiling Point: 225.4 °C at 760 mmHg; (22)Vapour Pressure: 0.129 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, such as suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). It is slightly harmful to the water, if anarchic license, do not put this material into surroundings.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1c(F)cccc1F
(2)InChI: InChI=1/C6H3ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-3H
(3)InChIKey: QXWAUQMMMIMLTO-UHFFFAOYAI