-
Name
2,5-BIS(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE
- EINECS -0
- CAS No. 351003-22-0
- Density 1.503 g/cm3
- Solubility
- Melting Point 59-63 °C(lit.)
- Formula C8H3ClF6O2S
- Boiling Point 277.6 °C at 760 mmHg
- Molecular Weight 312.62
- Flash Point 121.7 °C
- Transport Information
- Appearance
- Safety 26-27-36/37/39-45
- Risk Codes 34
-
Molecular Structure
- Hazard Symbols R34:Causes burns.;
- Synonyms 2,5-Bis(trifluoromethyl)benzenesulfonylchloride;
- PSA 42.52000
- LogP 4.73250
Benzenesulfonylchloride, 2,5-bis(trifluoromethyl)- Specification
This chemical is called Benzenesulfonylchloride, 2,5-bis(trifluoromethyl)-, and its systematic name is 2,5-bis(trifluoromethyl)benzenesulfonyl chloride. With the molecular formula of C8H3ClF6O2S, its molecular weight is 312.62. The CAS registry number of this chemical is 351003-22-0. Additionally, its product categories are Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
Other characteristics of the Benzenesulfonylchloride, 2,5-bis(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1148.16; (6)ACD/BCF (pH 7.4): 1148.16; (7)ACD/KOC (pH 5.5): 5394.48; (8)ACD/KOC (pH 7.4): 5394.48; (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: 1.434; (14)Molar Refractivity: 50.38 cm3; (15)Molar Volume: 193.1 cm3; (16)Polarizability: 19.97×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.618 g/cm3; (19)Flash Point: 121.7 °C; (20)Enthalpy of Vaporization: 49.55 kJ/mol; (21)Boiling Point: 277.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00755 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccc(cc1S(Cl)(=O)=O)C(F)(F)F
2.InChI: InChI=1/C8H3ClF6O2S/c9-18(16,17)6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H
3.InChIKey: KMEJLLXSUGLEDJ-UHFFFAOYAG
Related Products
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