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Cas Database |
| Name |
1-Propanone,2-bromo-1-(4-methoxyphenyl)- |
EINECS | 1533716-785-6 |
| CAS No. | 21086-33-9 | Density | 1.388 g/cm3 |
| PSA | 26.30000 | LogP | 2.66130 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H11BrO2 | Boiling Point | 313.3 °C at 760 mmHg |
| Molecular Weight | 243.1 | Flash Point | 143.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propiophenone,2-bromo-4'-methoxy- (7CI,8CI);1-Bromoethyl 4-methoxyphenyl ketone;2-Bromo-1-(4-methoxyphenyl)-1-propanone;2-Bromo-4'-methoxypropiophenone;4-Methoxy-a-bromopropiophenone;NSC 171557;a-Bromo-4-methoxypropiophenone;a-Bromo-4'-methoxypropiophenone;a-Bromo-p-methoxypropiophenone; |
Article Data | 62 |
1-Propanone,2-bromo-1-(4-methoxyphenyl)- Specification
The 1-Propanone,2-bromo-1-(4-methoxyphenyl)-, with CAS registry number 21086-33-9, has the systematic name of 2-bromo-1-(4-methoxyphenyl)propan-1-one. Besides this, it is also called 4-Methoxy-beta-bromopropiophenone. And the chemical formula of this chemical is C10H11BrO2.
Physical properties of 1-Propanone,2-bromo-1-(4-methoxyphenyl)-: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 55.28 cm3; (9)Molar Volume: 175 cm3; (10)Polarizability: 21.91×10-24cm3; (11)Surface Tension: 39.3 dyne/cm; (12)Density: 1.388 g/cm3; (13)Flash Point: 143.3 °C; (14)Enthalpy of Vaporization: 55.43 kJ/mol; (15)Boiling Point: 313.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000502 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)c1ccc(OC)cc1)C
(2)InChI: InChI=1/C10H11BrO2/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
(3)InChIKey: QNCDPGOJVGDTAN-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H11BrO2/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
(5)Std. InChIKey: QNCDPGOJVGDTAN-UHFFFAOYSA-N
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