Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Thiophenesulfonylchloride, 3-bromo-5-chloro- |
EINECS | N/A |
CAS No. | 175205-72-8 | Density | 2.059 g/cm3 |
PSA | 70.76000 | LogP | 4.17230 |
Solubility | N/A | Melting Point |
34-36°C |
Formula | C4HBrCl2O2S2 | Boiling Point | 346.7 °C at 760 mmHg |
Molecular Weight | 295.99 | Flash Point | 163.5 °C |
Transport Information | UN 3261 | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi; C | |
Synonyms |
3-Bromo-5-chloro-2-thiophenesulfonylchloride;3-bromo-5-chlorothiophene-2-sulfonyl chloride;2-Thiophenesulfonyl chloride, 3-bromo-5-chloro-; |
Article Data | 1 |
The 2-Thiophenesulfonylchloride, 3-bromo-5-chloro-, with the CAS registry number 175205-72-8, has the systematic name and IUPAC name of 3-bromo-5-chlorothiophene-2-sulfonyl chloride. And the molecular formula of this chemical is C4HBrCl2O2S2.
The physical properties of 2-Thiophenesulfonylchloride, 3-bromo-5-chloro- are as following: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 136.27; (6)ACD/BCF (pH 7.4): 136.27; (7)ACD/KOC (pH 5.5): 1173.28; (8)ACD/KOC (pH 7.4): 1173.28; (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: 1.629; (14)Molar Refractivity: 51.09 cm3; (15)Molar Volume: 143.7 cm3; (16)Polarizability: 20.25×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 2.059 g/cm3; (19)Flash Point: 163.5 °C; (20)Enthalpy of Vaporization: 56.75 kJ/mol; (21)Boiling Point: 346.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000113 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: Wear suitable protective clothing, gloves and eye/face protection, and 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)c1sc(Cl)cc1Br
(2)InChI: InChI=1/C4HBrCl2O2S2/c5-2-1-3(6)10-4(2)11(7,8)9/h1H
(3)InChIKey: IJWGXKAPAGXFRO-UHFFFAOYAB