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CAS No.: | 325809-68-5 |
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Name: | 4-(5-BROMO-2-METHOXYBENZENESULPHONYL)MORPHOLINE |
Molecular Structure: | |
Formula: | C11H14BrNO4S |
Molecular Weight: | 336.2 |
Synonyms: | 4-(5-BROMO-2-METHOXYPHENYLSULFONYL)MORPHOLINE;4-(5-BROMO-2-METHOXYBENZENESULPHONYL)MORPHOLINE;4-Bromo-2-(morpholin-4-ylsulphonyl)anisole;4-Bromo-2-(morpholin-4-ylsulphonyl)anisole 98% |
Density: | 1.56 g/cm3 |
Melting Point: | 151-155 °C |
Boiling Point: | 468.2°C at 760mmHg |
Flash Point: | 236.9 °C |
Hazard Symbols: | Xi |
PSA: | 64.22000 |
LogP: | 2.49730 |
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This chemical is called Morpholine,4-[(5-bromo-2-methoxyphenyl)sulfonyl]-, and its systematic name is 4-[(5-bromo-2-methoxyphenyl)sulfonyl]morpholine. With the molecular formula of C11H14BrNO4S, its molecular weight is 336.2. The CAS registry number of this chemical is 325809-68-5. And its product categories are blocks; Bromides; Heterocycles; Sulfonamides. The chemical is irritant, so please be careful when you use it. Additionally, this chemical should be sealed in the cold place.
Other characteristics of the Morpholine,4-[(5-bromo-2-methoxyphenyl)sulfonyl]- can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): ; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): ; (6)ACD/BCF (pH 7.4): ; (7)ACD/KOC (pH 5.5): ; (8)ACD/KOC (pH 7.4): ; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.22Å2; (13)Index of Refraction: 1.578 ; (14)Molar Refractivity: 71.75 cm3; (15)Molar Volume: 216 cm3; (16)Polarizability: 28.44×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.556 g/cm3; (19)Flash Point: 236.9 °C; (20)Enthalpy of Vaporization: 73.03 kJ/mol; (21)Boiling Point: 468.2 °C at 760 mmHg; (22)Vapour Pressure: 6.12E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(N1CCOCC1)c2cc(Br)ccc2OC
2.InChI; InChI=1/C11H14BrNO4S/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3
3.InChIKey: VTEGRVPWQCKYTN-UHFFFAOYAG
4.Std. InChI: InChI=1S/C11H14BrNO4S/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3 5.Std. InChIKey: VTEGRVPWQCKYTN-UHFFFAOYSA-N