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CAS No.: | 202752-04-3 |
---|---|
Name: | 4'-METHOXY[1,1'-BIPHENYL]-4-SULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C13H11ClO3S |
Molecular Weight: | 282.748 |
Synonyms: | 4-(4-Methoxyphenyl)benzenesulfonylchloride;4'-Methoxy-1,1'-biphenyl-4-sulfonyl chloride;4'-Methoxybiphenyl-4-sulfonylchloride; |
Density: | 1.312 g/cm3 |
Melting Point: | 103 °C |
Boiling Point: | 409.3 °C at 760 mmHg |
Flash Point: | 201.3 °C |
Hazard Symbols: | C |
Risk Codes: | 14-34 |
Safety: | 26-36/37/39-45 |
PSA: | 51.75000 |
LogP: | 4.37050 |
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The CAS register number of [1,1'-Biphenyl]-4-sulfonylchloride, 4'-methoxy- is 202752-04-3. It also can be called as [4-(4-methoxyphenyl)phenyl]sulphonyl chloride and the systematic name about this chemical is 4'-methoxybiphenyl-4-sulfonyl chloride. The molecular formula about this chemical is C13H11ClO3S and the molecular weight is 282.74.
Physical properties about [1,1'-Biphenyl]-4-sulfonylchloride, 4'-methoxy- are: (1)ACD/LogP: 4.01; (2)ACD/LogD (pH 5.5): 4.01; (3)ACD/LogD (pH 7.4): 4.01; (4)ACD/BCF (pH 5.5): 659.36; (5)ACD/BCF (pH 7.4): 659.36; (6)ACD/KOC (pH 5.5): 3626.86; (7)ACD/KOC (pH 7.4): 3626.86; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 51.75Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 71.47 cm3; (13)Molar Volume: 215.3 cm3; (14)Polarizability: 28.33x10-24cm3; (15)Surface Tension: 43.4 dyne/cm; (16)Flash Point: 201.3 °C; (17)Enthalpy of Vaporization: 63.58 kJ/mol; (18)Boiling Point: 409.3 °C at 760 mmHg; (19)Vapour Pressure: 1.55E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(c1ccc(OC)cc1)cc2
(2)InChI: InChI=1/C13H11ClO3S/c1-17-12-6-2-10(3-7-12)11-4-8-13(9-5-11)18(14,15)16/h2-9H,1H3
(3)InChIKey: AJWXJCPSCXFPJJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H11ClO3S/c1-17-12-6-2-10(3-7-12)11-4-8-13(9-5-11)18(14,15)16/h2-9H,1H3
(5)Std. InChIKey: AJWXJCPSCXFPJJ-UHFFFAOYSA-N