Product Name

  • Name

    4-BROMO-2-(TRIFLUOROMETHOXY)BENZENE-1-SULFONYL CHLORIDE

  • EINECS
  • CAS No. 175278-14-5
  • Density 1.859 g/cm3
  • Solubility
  • Melting Point 86-88 °C (lit.)
  • Formula C7H3BrClF3O3S
  • Boiling Point 289.757 °C at 760 mmHg
  • Molecular Weight 339.517
  • Flash Point 129.041 °C
  • Transport Information UN 3265 8/PG 2
  • Appearance
  • Safety 9-26-36/37/39-45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 175278-14-5 (4-BROMO-2-(TRIFLUOROMETHOXY)BENZENE-1-SULFONYL CHLORIDE)
  • Hazard Symbols CorrosiveC; ToxicT
  • Synonyms 2-Trifluoromethoxy-4-bromobenzenesulfonylchloride;4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonyl chloride;4-Bromo-2-trifluoromethoxybenzenesulfonyl chloride;4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride;4-Bromo-2-(trifluoromethoxy)benzenesulfonyl chloride;Benzenesulfonyl chloride, 4-bromo-2-(trifluoromethoxy)-;
  • PSA 51.75000
  • LogP 4.35600

4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonyl chloride Specification

The Benzenesulfonylchloride, 4-bromo-2-(trifluoromethoxy)-, with the CAS registry number 175278-14-5, has the systematic name of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride. It belongs to the following product categories: Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And the molecular formula of the chemical is C7H3BrClF3O3S.

The characteristics of Benzenesulfonylchloride, 4-bromo-2-(trifluoromethoxy)- are as followings: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 758.03; (6)ACD/BCF (pH 7.4): 758.03; (7)ACD/KOC (pH 5.5): 4007.55; (8)ACD/KOC (pH 7.4): 4007.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 54.85 cm3; (15)Molar Volume: 182.6 cm3; (16)Polarizability: 21.74×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.858 g/cm3; (19)Flash Point: 129 °C; (20)Enthalpy of Vaporization: 50.79 kJ/mol; (21)Boiling Point: 289.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00375 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: Keep container in a well-ventilated place; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(Cl)(=O)c1c(OC(F)(F)F)cc(Br)cc1
(2)InChI: InChI=1/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H
(3)InChIKey: ZZCIRIWJHAZTIW-UHFFFAOYAE

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