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Benzenesulfonylchloride, 3,4-dibromo-

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Name

Benzenesulfonylchloride, 3,4-dibromo-

EINECS N/A
CAS No. 81903-80-2 Density 2.11 g/cm3
PSA 42.52000 LogP 4.21990
Solubility N/A Melting Point 34 °C
Formula C6H3Br2ClO2S Boiling Point 346.9 °C at 760 mmHg
Molecular Weight 334.416 Flash Point 163.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 81903-80-2 (3,4-DIBROMOBENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

3,4-Dibromobenzenesulfonylchloride;3,4-Dibromophenylsulfonyl chloride;

Article Data 9

Benzenesulfonylchloride, 3,4-dibromo- Specification

The Benzenesulfonylchloride, 3,4-dibromo-, with the CAS registry number 81903-80-2, is also known as 3,4-Dibromobenzenesulphonyl chloride. This chemical's molecular formula is C6H3Br2ClO2S and molecular weight is 334.41. What's more, its systematic name is called 3,4-Dibromobenzenesulfonyl chloride.

Physical properties about Benzenesulfonylchloride, 3,4-dibromo- are: (1) ACD/LogP: 4.03; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.03; (4) ACD/LogD (pH 7.4): 4.03; (5) ACD/BCF (pH 5.5): 678.54; (6) ACD/BCF (pH 7.4): 678.54; (7) ACD/KOC (pH 5.5): 3702.05; (8) ACD/KOC (pH 7.4): 3702.05; (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: 1.622; (14) Molar Refractivity: 55.84 cm3; (15) Molar Volume: 158.4 cm3; (16) Surface Tension: 51.4 dyne/cm; (17) Density: 2.11 g/cm3; (18)Flash Point: 163.6 °C; (19) Enthalpy of Vaporization: 56.78 kJ/mol; (20) Boiling Point: 346.9 °C at 760 mmHg; (21) Vapour Pressure: 0.000112 mmHg at 25 °C; (22) Melting Point: 34 °C.

Preparation of Benzenesulfonylchloride, 3,4-dibromo-: this chemical can be prepared by 1,2-Dibromo-benzene.

This reaction needs reagent Chloroform, Chlorosulfuric acid at temperature of 0 °C.

Uses of Benzenesulfonylchloride, 3,4-dibromo-: it is used to produce other chemicals. For example, it is used to produce 3,4-Dibromo-N-cyclohexyl-benzenesulfonamide.



The reaction occurs with reagent Benzene and other condition of heating for 2 hours. The yield is 98 %.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1Br)S(Cl)(=O)=O
(2) InChI: InChI=1/C6H3Br2ClO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
(3) InChIKey: PBCQAUMKUSTMJD-UHFFFAOYAC

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