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Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)-

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Name

Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)-

EINECS N/A
CAS No. 54403-98-4 Density 1.84 g/cm3
PSA 42.52000 LogP 4.47620
Solubility N/A Melting Point N/A
Formula C7H3BrClF3O2S Boiling Point 294 °C at 760 mmHg
Molecular Weight 323.518 Flash Point 131.6 °C
Transport Information N/A Appearance N/A
Safety 26-27-36/37/39-45 Risk Codes 10-34
Molecular Structure Molecular Structure of 54403-98-4 (2-BROMO-4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

2-Bromo-4-(trifluoromethyl)benzene-1-sulfonylchloride;2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride;2-Bromo-a,a,a-trifluoro-p-toluenesulfonyl chloride;

Article Data 3

Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)- Specification

The Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)-, with the CAS registry number 54403-98-4, is also known as 2-Bromo-4-(trifluoromethyl)benzenesulphonyl chloride 97%. It belongs to the product categories of Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C7H3BrClF3O2S and molecular weight is 323.5147. Its systematic name is called 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride.

Physical properties of Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)-: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 154.29; (6)ACD/BCF (pH 7.4): 154.29; (7)ACD/KOC (pH 5.5): 1282.38; (8)ACD/KOC (pH 7.4): 1282.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 53.11 cm3; (14)Molar Volume: 175.7 cm3; (15)Surface Tension: 37.5 dyne/cm; (16)Density: 1.84 g/cm3; (17)Flash Point: 131.6 °C; (18)Enthalpy of Vaporization: 51.22 kJ/mol; (19)Boiling Point: 294 °C at 760 mmHg; (20)Vapour Pressure: 0.00293 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It is flammable which may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should take off immediately all contaminated clothing. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccc(cc1Br)C(F)(F)F
(2)InChI: InChI=1/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
(3)InChIKey: WWEGTYZLWBOTQW-UHFFFAOYAK

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