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CAS No.: | 10185-62-3 |
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Name: | 3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZENESULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C9H7ClN2O3S |
Molecular Weight: | 258.68 |
Synonyms: | Benzenesulfonylchloride,m-(5-methyl-1,2,4-oxadiazol-3-yl)- (8CI);3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzenesulfonylchloride;3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzenesulphonyl chloride, tech; |
Density: | 1.462 g/cm3 |
Melting Point: | 67 °C |
Boiling Point: | 426.2 °C at 760 mmHg |
Flash Point: | 211.6 °C |
Hazard Symbols: | C |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
Safety: | 26 |
PSA: | 81.44000 |
LogP: | 3.05330 |
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The Benzenesulfonylchloride, 3-(5-methyl-1, 2, 4-oxadiazol-3-yl)-, with the CAS registry number 10185-62-3, is also known as 3-(5-Methyl-1, 2, 4-oxadiazol-3-yl)benzenesulphonyl chloride, tech. This chemical's molecular formula is C9H7ClN2O3S and molecular weight is 258.68. What's more, its systematic name is 3-(5-Methyl-1, 2, 4-oxadiazol-3-yl)benzenesulfonyl chloride. In addition, it may destroy living tissue.
Physical properties about Benzenesulfonylchloride, 3-(5-methyl-1, 2, 4-oxadiazol-3-yl)- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.77; (6)ACD/BCF (pH 7.4): 42.77; (7)ACD/KOC (pH 5.5): 511.9; (8)ACD/KOC (pH 7.4): 511.9; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 81.44 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 57.81 cm3; (15)Molar Volume: 176.8 cm3; (16)Polarizability: 22.91×10-24 cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 211.6 °C; (20)Enthalpy of Vaporization: 65.47 kJ/mol; (21)Boiling Point: 426.2 °C at 760 mmHg; (22)Vapour Pressure: 4.46E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c1cccc(c1)c2nc(C)on2
(2) InChI: InChI=1/C9H7ClN2O3S/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)16(10,13)14/h2-5H,1H3
(3) InChIKey: YPMVPGZXUILSPT-UHFFFAOYAH