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| CAS No.: | 834-67-3 |
|---|---|
| Name: | 4-(4-BROMOBENZENESULFONYL)MORPHOLINE |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C10H12BrNO3S |
| Molecular Weight: | 306.18 |
| Synonyms: | 1-Bromo-4-(morpholin-4-ylsulfonyl)benzene;Morpholine,4-[(p-bromophenyl)sulfonyl]- (7CI,8CI);4-[(4-Bromophenyl)sulfonyl]morpholine;4-[(p-Bromophenyl)sulfonyl]morpholine;N-(4-Bromobenzenesulfonyl)morpholine;NSC 75610;4-[(4-bromophenyl)sulfonyl]morpholine; |
| Density: | 1.594 g/cm3 |
| Melting Point: | 140-142 |
| Boiling Point: | 415.7 °C at 760 mmHg |
| Flash Point: | 205.2 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 54.99000 |
| LogP: | 2.48870 |
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- Total:24 Page 1 of 1 1
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Specification
The Morpholine,4-[(4-bromophenyl)sulfonyl]-, with the CAS registry number 834-67-3, has the systematic name of 4-[(4-bromophenyl)sulfonyl]morpholine. It belongs to the following product categories: Blocks; Bromides; Heterocycles; Sulfonamides; Aryl; Organohalides; Sulfonamide. And the molecular formula of the chemical is C10H12BrNO3S.
The characteristics of Morpholine,4-[(4-bromophenyl)sulfonyl]- are as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 54.99 Å2; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 65.39 cm3; (9)Molar Volume: 192 cm3; (10)Polarizability: 25.92×10-24cm3; (11)Surface Tension: 50.4 dyne/cm; (12)Density: 1.594 g/cm3; (13)Flash Point: 205.2 °C; (14)Enthalpy of Vaporization: 66.89 kJ/mol; (15)Boiling Point: 415.7 °C at 760 mmHg; (16)Vapour Pressure: 4.03E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(N1CCOCC1)c2ccc(Br)cc2
(2)InChI: InChI=1/C10H12BrNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
(3)InChIKey: JWJRLABLXQZFAR-UHFFFAOYAZ