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CAS No.: | 24393-53-1 |
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Name: | ETHYL TRANS-4-BROMOCINNAMATE |
Article Data: | 146 |
Molecular Structure: | |
Formula: | C11H11BrO2 |
Molecular Weight: | 255.111 |
Synonyms: | (E)-Ethyl3-(4-bromophenyl)acrylate;Ethyl (2E)-3-(4-bromophenyl)-2-propenoate;Ethyl(E)-3-(4-bromophenyl)-2-propenoate;Ethyl (E)-4-bromocinnamate;Ethyltrans-4-bromocinnamate;trans-p-Bromocinnamic acid ethyl ester;(E)-3-(4-Bromophenyl)-2-propenoic acid ethyl ester;(E)-3-(4-Bromophenyl)acrylic acid ethyl ester;Cinnamic acid, p-bromo-, ethylester, (E)- (8CI);2-Propenoicacid, 3-(4-bromophenyl)-, ethyl ester, (E)-; |
Density: | 1.393 g/cm3 |
Boiling Point: | 308.6 °C at 760 mmHg |
Flash Point: | 150.8 °C |
Appearance: | Clear yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 26.30000 |
LogP: | 3.02540 |
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The 2-Propenoic acid,3-(4-bromophenyl)-, ethyl ester, (2E)-, also known as Ethyl trans-4-bromocinnamate, is an organic compound with the formula C11H11BrO2. It belongs to the product categories of C10 to C11; Carbonyl Compounds; Esters. With the CAS registry number 24393-53-1, its IUPAC name is ethyl (E)-3-(4-bromophenyl)prop-2-enoate. What's more, the substance should be sealed and stored in cool and dry place.
Physical properties of 2-Propenoic acid,3-(4-bromophenyl)-, ethyl ester, (2E)-: (1)ACD/LogP: 3.60; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.579; (5)Molar Refractivity: 60.87 cm3; (6)Molar Volume: 183 cm3; (7)Surface Tension: 41.6 dyne/cm; (8)Density: 1.393 g/cm3; (9)Flash Point: 150.8 °C; (10)Enthalpy of Vaporization: 54.93 kJ/mol; (11)Boiling Point: 308.6 °C at 760 mmHg; (12)Vapour Pressure: 0.000674 mmHg at 25°C.
Uses of 2-Propenoic acid,3-(4-bromophenyl)-, ethyl ester, (2E)-: it can be used to produce 4-Brom-cinnamylalkohol at temperature of -78 °C. This reaction will need reagent diisobutylaluminum hydride and solvent toluene. The yield is about 83%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C=CC1=CC=C(C=C1)Br
(2)Isomeric SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)Br
(3)InChI: InChI=1S/C11H11BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
(4)InChIKey: YOOKYIPLSLPRTC-VMPITWQZSA-N