Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Ethoxyacryloyl chloride |
EINECS | 228-239-8 |
CAS No. | 6191-99-7 | Density | 1.125 g/cm3 |
PSA | 26.30000 | LogP | 1.30200 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H7ClO2 | Boiling Point | 171.8 °C at 760 mmHg |
Molecular Weight | 134.562 | Flash Point | 62.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 23-24-26-36/37/39-45 | Risk Codes | 10-22-34-42/43 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Acryloylchloride, 3-ethoxy- (6CI,7CI,8CI);3-Ethoxyacryloyl chloride;3-Ethoxyprop-2-enoyl chloride;b-Ethoxyacrylic acid chloride;b-Ethoxyacrylic chloride;b-Ethoxyacryloyl chloride;(2E)-3-ethoxyprop-2-enoyl chloride; |
Article Data | 55 |
Conditions | Yield |
---|---|
With thionyl chloride at 80℃; for 1.66667h; Cooling with ice; | 73% |
With thionyl chloride at 80℃; for 1.66667h; | 73% |
With thionyl chloride at 80℃; for 1.66667h; Cooling with ice; | 73% |
sodium 3-ethoxypropenoate
3-ethoxyacryloyl chloride
Conditions | Yield |
---|---|
59% | |
With thionyl chloride | |
With thionyl chloride for 2h; Heating / reflux; | |
With thionyl chloride for 2h; Reflux; |
Conditions | Yield |
---|---|
at 0 - 20℃; for 14h; Inert atmosphere; | 53% |
at 0 - 20℃; for 14h; Inert atmosphere; | 53% |
at 20℃; for 15h; Cooling with ice; | 137 g |
ethyl 3,3-diethoxypropanoate
3-ethoxyacryloyl chloride
Conditions | Yield |
---|---|
With thionyl chloride | |
Multi-step reaction with 2 steps 1: sodium hydroxide; water / 1.5 h / 110 °C 2: thionyl chloride / 1.67 h / 80 °C / Cooling with ice View Scheme | |
Multi-step reaction with 2 steps 1: sodium hydroxide / water / 1.5 h / 110 °C 2: thionyl chloride / 1.67 h / 80 °C View Scheme | |
Multi-step reaction with 2 steps 1: Alkaline conditions 2: thionyl chloride View Scheme |
Conditions | Yield |
---|---|
With oxalyl dichloride Yield given; | |
With oxalyl dichloride In dichloromethane at 0 - 20℃; Inert atmosphere; | |
With thionyl chloride | |
With thionyl chloride In toluene for 3h; Reflux; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium hydroxide; water / 2 h / Reflux 2: thionyl chloride / 2 h / Reflux View Scheme | |
Stage #1: ethyl 3-ethoxyacrylate With sodium hydroxide Stage #2: With thionyl chloride In diethyl ether | |
Multi-step reaction with 2 steps 1: water; sodium hydroxide / 2 h / Reflux 2: thionyl chloride / toluene / 3 h / Reflux View Scheme |
(E)-3-ethoxyprop-2-enoic acid
3-ethoxyacryloyl chloride
Conditions | Yield |
---|---|
With thionyl chloride for 2h; Reflux; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium hydroxide / 4 h / Reflux 2: thionyl chloride / 2 h / Reflux View Scheme |
The 3-Ethoxyacryloyl chloride, with the CAS registry number 6191-99-7 and EINECS registry number 228-239-8, has the systematic name of (2E)-3-ethoxyprop-2-enoyl chloride. It belongs to the following product categories: Small molecule; Acid HalidesOrganic Building Blocks; Acyclic; Alkenes; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C5H7ClO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.56; (6)ACD/BCF (pH 7.4): 8.56; (7)ACD/KOC (pH 5.5): 161.89; (8)ACD/KOC (pH 7.4): 161.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 31.89 cm3; (15)Molar Volume: 119.5 cm3; (16)Polarizability: 12.64×10-24cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 1.125 g/cm3; (19)Flash Point: 62.1 °C; (20)Enthalpy of Vaporization: 40.82 kJ/mol; (21)Boiling Point: 171.8 °C at 760 mmHg; (22)Vapour Pressure: 1.38 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)\C=C\OCC
(2)InChI: InChI=1/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3/b4-3+
(3)InChIKey: SFMFACMIOWQIPR-ONEGZZNKBE