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Name |
Benzenesulfonyl chloride, 2,4-dichloro-3-methyl- |
EINECS | N/A |
CAS No. | 69145-58-0 | Density | 1.56 g/cm3 |
PSA | 42.52000 | LogP | 4.31010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5Cl3O2S | Boiling Point | 331 °C at 760 mmHg |
Molecular Weight | 259.541 | Flash Point | 154 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-Dichloro-3-methylbenzenesulfonyl chloride; |
Article Data | 6 |
The CAS registry number of Benzenesulfonyl chloride, 2,4-dichloro-3-methyl- is 69145-58-0. Its molecular formula is C7H5Cl3O2S and molecular weight is 259.5374. Its systematic name is called 2,4-dichloro-3-methylbenzenesulfonyl chloride.
Physical properties about Benzenesulfonyl chloride, 2,4-dichloro-3-methyl- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 362.95; (6)ACD/BCF (pH 7.4): 362.95; (7)ACD/KOC (pH 5.5): 2365.61; (8)ACD/KOC (pH 7.4): 2365.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 54.67 cm3; (14)Molar Volume: 166.2 cm3; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.56 g/cm3; (17)Flash Point: 154 °C; (18)Enthalpy of Vaporization: 55.09 kJ/mol; (19)Boiling Point: 331 °C at 760 mmHg; (20)Vapour Pressure: 0.000308 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1C)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H5Cl3O2S/c1-4-5(8)2-3-6(7(4)9)13(10,11)12/h2-3H,1H3
(3)InChIKey: XMKNKDQXFBQJDP-UHFFFAOYAK