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4823-47-6

Basic Information
CAS No.: 4823-47-6
Name: 2-Propenoic acid,2-bromoethyl ester
Article Data: 13
Cas Database
Molecular Structure:
Molecular Structure of 4823-47-6 (2-Propenoic acid,2-bromoethyl ester)
Formula: C5H7BrO2
Molecular Weight: 179.013
Synonyms: Acrylicacid, 2-bromoethyl ester (6CI,7CI,8CI);Ethanol, 2-bromo-, acrylate (8CI);2-Bromoethyl acrylate;NSC 18591;2-Bromoethyl prop-2-enoate;Acrylic acid 2-bromoethyl ester;
EINECS: -0
Density: 1.457 g/cm3
Melting Point: N/A
Boiling Point: 188.1 °C at 760 mmHg
Flash Point: 67.6 °C
Solubility: Insoluble in water
Appearance: Colorless liquid
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.; R51/53:Toxic to aquatic organisms, may cause long-term advers
Risk Codes: 36/37/38-51/53
Safety: 26-36/37/39
Transport Information: N/A
PSA: 26.30000
LogP: 1.11050
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Specification

The 2-Propenoic acid,2-bromoethyl ester, with the CAS registry number 4823-47-6, is also known as 2-Bromoethyl acrylate. It belongs to the product category of Monomer. This chemical's molecular formula is C5H7BrO2 and molecular weight is 179.01. What's more, its systematic name is 2-Bromoethyl prop-2-enoate. Its classification code is Mutation data. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of 2-Propenoic acid,2-bromoethyl ester are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.06; (6)ACD/BCF (pH 7.4): 13.06; (7)ACD/KOC (pH 5.5): 219.03; (8)ACD/KOC (pH 7.4): 219.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 34.44 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 13.65×10-24 cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.457 g/cm3; (19)Flash Point: 67.6 °C; (20)Enthalpy of Vaporization: 42.43 kJ/mol; (21)Boiling Point: 188.1 °C at 760 mmHg; (22)Vapour Pressure: 0.61 mmHg at 25°C.

Uses of 2-Propenoic acid,2-bromoethyl ester: it can be used to produce N-(2-acryloyloxy-ethyl)-phthalimide at the temperature of 60 °C. It will need reagent tetrabutyl ammonium bromide and solvent acetonitrile with the reaction time of 8 hours. The yield is about 71%.

2-Propenoic acid,2-bromoethyl ester can be used to produce N-(2-acryloyloxy-ethyl)-phthalimide at the temperature of 60 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. Besides, it is toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CC(=O)OCCBr
(2)InChI: InChI=1S/C5H7BrO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
(3)InChIKey: CDZAAIHWZYWBSS-UHFFFAOYSA-N