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69145-58-0

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Basic Information
CAS No.: 69145-58-0
Name: 2,4-dichloro-3-methylbenzenesulfonyl chloride(SALTDATA: FREE)
Article Data: 6
Molecular Structure:
Molecular Structure of 69145-58-0 (2,4-dichloro-3-methylbenzenesulfonyl chloride(SALTDATA: FREE))
Formula: C7H5Cl3O2S
Molecular Weight: 259.541
Synonyms: 2,4-Dichloro-3-methylbenzenesulfonyl chloride;
Density: 1.56 g/cm3
Boiling Point: 331 °C at 760 mmHg
Flash Point: 154 °C
PSA: 42.52000
LogP: 4.31010
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Specification

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