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CAS No.: | 166964-36-9 |
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Name: | 4-BROMO-2,5-DICHLOROTHIOPHENE-3-SULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C4BrCl3O2S2 |
Molecular Weight: | 330.438 |
Synonyms: | 3-Bromo-2,5-dichlorothiophene-4-sulfonylchloride;4-Bromo-2,5-dichlorothiophene-3-sulfonyl chloride; |
Density: | 2.122 g/cm3 |
Melting Point: | 70-72°C |
Boiling Point: | 374.4 °C at 760 mmHg |
Flash Point: | 180.2 °C |
Hazard Symbols: | C |
Risk Codes: | 14-34 |
Safety: | 8-20-26-30-36/37/39-45-60 |
PSA: | 70.76000 |
LogP: | 4.82570 |
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This chemical is called 4-Bromo-2,5-dichlorothiophene-3-sulfonyl chloride, and its CAS registry number is 166964-36-9. With the molecular formula of C4BrCl3O2S2, its molecular weight is 330.43. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides and water.
Other characteristics of the 4-Bromo-2,5-dichlorothiophene-3-sulfonyl chloride can be summarised as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 240.85; (6)ACD/BCF (pH 7.4): 240.85; (7)ACD/KOC (pH 5.5): 1763.84; (8)ACD/KOC (pH 7.4): 1763.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.76 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 55.91 cm3; (15)Molar Volume: 155.6 cm3; (16)Polarizability: 22.16×10-24cm3; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 2.122 g/cm3; (19)Flash Point: 180.2 °C; (20)Enthalpy of Vaporization: 59.74 kJ/mol; (21)Boiling Point: 374.4 °C at 760 mmHg Vapour Pressure: 1.81E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical reacts violently with water. It causes burns. Keep the container dry. When using it, wear suitable protective clothing, gloves and eye/face protection, do not eat or drink. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(Cl)(=O)c1c(Cl)sc(Cl)c1Br
2.InChI: InChI=1/C4BrCl3O2S2/c5-1-2(12(8,9)10)4(7)11-3(1)6
3.InChIKey: NAHZODWKWDZKSZ-UHFFFAOYAI