Basic information
- Name:
Benzenesulfonylchloride, 3,5-difluoro-
- Superlist Name:
- 3,5-Difluorobenzenesulfonyl chloride
- CAS No.:
210532-25-5
- Molecular Structure:
- Formula:
- C6H3ClF2O2S
- Molecular Weight:
- 212.60
- Synonyms:
- 4-(3,5-Difluorophenylsulfonyl) chloride;Benzenesulfonyl chloride, 3,5-difluoro-;
- Density:
- 1.58 g/cm3
- Melting Point:
- 57-59 °C
- Boiling Point:
- 231.9 °C at 760 mmHg
- Flash Point:
- 94.1 °C
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 1759 8/PG 2
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Specification
The 3,5-Difluorobenzenesulfonyl chloride, with the CAS registry number 210532-25-5, is a kind of moisture sensitive chemical. And the molecular formula of this chemical is C6H3ClF2O2S. In addition, it belongs to the following product categories: Sulfonylhalide; Aromatic Halides (substituted); Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
The physical properties of 3,5-Difluorobenzenesulfonyl chloride are as following: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 88.78; (6)ACD/BCF (pH 7.4): 88.78; (7)ACD/KOC (pH 5.5): 863.43; (8)ACD/KOC (pH 7.4): 863.43; (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: 94.1 °C; (20)Enthalpy of Vaporization: 44.96 kJ/mol; (21)Boiling Point: 231.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0922 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H3ClF2O2S/c7-12(10,11)6-2-4(8)1-5(9)3-6/h1-3H
(3)InChIKey: IIQKIICAOXAXEJ-UHFFFAOYAA
