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CAS No.: | 690632-30-5 |
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Name: | [4-(2-METHOXYPHENOXY)PHENYL]SULFONYLCHLORIDE |
Molecular Structure: | |
Formula: | C13H11ClO4S |
Molecular Weight: | 298.747 |
Synonyms: | 4-(2-Methoxyphenoxy)benzenesulfonylchloride;4-(2-Methoxyphenoxy)benzenesulphonyl chloride; |
Density: | 1.353 g/cm3 |
Melting Point: | 54 °C |
Boiling Point: | 398.7 °C at 760 mmHg |
Flash Point: | 194.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 60.98000 |
LogP: | 4.49580 |
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The Benzenesulfonylchloride, 4-(2-methoxyphenoxy)-, with the CAS registry number 690632-30-5, is also known as 4-(2-Methoxyphenoxy)benzenesulphonyl chloride. This chemical's molecular formula is C13H11ClO4S and formula weight is 298.74. What's more, its IUPAC name is 4-(2-methoxyphenoxy)benzenesulfonyl chloride. It is irritant.
Physical properties of Benzenesulfonylchloride, 4-(2-methoxyphenoxy)- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/BCF (pH 5.5): 187.02; (5)ACD/KOC (pH 5.5): 1471.71; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 60.98 Å2; (10)Index of Refraction: 1.577; (11)Molar Refractivity: 73.21 cm3; (12)Molar Volume: 220.6 cm3; (13)Surface Tension: 45.5 dyne/cm; (14)Density: 1.353 g/cm3; (15)Flash Point: 194.9 °C; (16)Enthalpy of Vaporization: 62.4 kJ/mol; (17)Boiling Point: 398.7 °C at 760 mmHg; (18)Vapour Pressure: 3.33E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(Oc1ccccc1OC)cc2
(2)InChI: InChI=1S/C13H11ClO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3
(3)InChIKey: DKNWPXFCLUKCQB-UHFFFAOYSA-N