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CAS No.: | 101366-51-2 |
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Name: | 4'-METHYL[1,1'-BIPHENYL]-4-SULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C13H11ClO2S |
Molecular Weight: | 266.748 |
Synonyms: | 4'-Methyl[1,1'-biphenyl]-4-sulfonylchloride; |
Density: | 1.284 g/cm3 |
Melting Point: | 107 °C |
Boiling Point: | 385.8 °C at 760 mmHg |
Flash Point: | 187.1 °C |
Hazard Symbols: | C |
Risk Codes: | 14-34 |
Safety: | 26-36/37/39-45 |
PSA: | 42.52000 |
LogP: | 4.67030 |
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The [1,1'-Biphenyl]-4-sulfonylchloride, 4'-methyl-, with the CAS registry number 101366-51-2, is also known as 4'-Methylbiphenyl-4-sulfonyl chloride. This chemical's molecular formula is C13H11ClO2S and molecular weight is 266.74. Its IUPAC name is called 4-(4-methylphenyl)benzenesulfonyl chloride.
Physical properties of [1,1'-Biphenyl]-4-sulfonylchloride, 4'-methyl-: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 2037.53; (6)ACD/BCF (pH 7.4): 2037.53; (7)ACD/KOC (pH 5.5): 8133.03; (8)ACD/KOC (pH 7.4): 8133.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 69.73 cm3; (14)Molar Volume: 207.6 cm3; (15)Surface Tension: 43.2 dyne/cm; (16)Density: 1.284 g/cm3; (17)Flash Point: 187.1 °C; (18)Enthalpy of Vaporization: 60.99 kJ/mol; (19)Boiling Point: 385.8 °C at 760 mmHg; (20)Vapour Pressure: 8.22E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
(2)InChI: InChI=1S/C13H11ClO2S/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)17(14,15)16/h2-9H,1H3
(3)InChIKey: DBYXACYHGMSPMQ-UHFFFAOYSA-N