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| CAS No.: | 2549-51-1 |
|---|---|
| Name: | Vinyl chloroacetate |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5ClO2 |
| Molecular Weight: | 120.535 |
| Synonyms: | Aceticacid, chloro-, ethenyl ester (9CI);Acetic acid, chloro-, vinyl ester(6CI,8CI);Vinyl monochloroacetate; |
| EINECS: | 219-834-3 |
| Density: | 1.153 g/cm3 |
| Melting Point: | -68oC |
| Boiling Point: | 123.7 °C at 760 mmHg |
| Flash Point: | 39 °C |
| Solubility: | Insoluble in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-20/21/22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2589 |
| PSA: | 26.30000 |
| LogP: | 0.91190 |
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| Conditions | Yield |
|---|---|
| With mercury(II) diacetate; boric acid at 10 - 20℃; | |
| With hydroquinone; mercury(II) oxide at 60℃; dann bei 40-50grad; | |
| With mercury(II) oxide |
| Conditions | Yield |
|---|---|
| for 1h; Ambient temperature; |
- 2549-51-1
vinyl chloroacetate
| Conditions | Yield |
|---|---|
| With benzene |
| Conditions | Yield |
|---|---|
| With Cp*2Sm(THF)2 In toluene Ambient temperature; further reagent: SmI2; | 99% |
| With 1,3-dichlorotetrabutyldistannoxane at 50℃; for 17h; | 96% |
| With 1,3-dichlorotetrabutyldistannoxane at 50℃; for 17h; | 96% |
- 2549-51-1
vinyl chloroacetate
- 60174-90-5
1-phenyl-2-cyclohex-2-en-1-ol
| Conditions | Yield |
|---|---|
| With Candida antartica lipase B (CAL-B) immobilized on a support (commercial name: Chirazyme L-2 C4); V-MPS4 In acetonitrile at 35℃; for 24h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 1h; Enzymatic reaction; regioselective reaction; | 99% |
- 2549-51-1
vinyl chloroacetate
- 320351-47-1
thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-6-O-acetyl-2-azido-2-deoxy-β-D-glucopyranoside
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase In acetonitrile at 40℃; for 12h; Acylation; | 91% |
- 320351-46-0
thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-2-azido-2-deoxy-β-D-glucopyranoside
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase In acetonitrile at 28℃; for 4h; Acylation; | 90% |
- 2549-51-1
vinyl chloroacetate
- 169437-96-1
(3S,5S)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 23h; Ambient temperature; Chromobacterium viscosum lipase; | A 86% B 7 % Spectr. |
- 2549-51-1
vinyl chloroacetate
- 169437-97-2
(3R,5R)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 92h; Ambient temperature; Chromobacterium viscosum lipase; | A 6.5% B 2.5% C 85% |
- Total:20 Page 1 of 1 1
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Specification
The Vinyl chloroacetate with the CAS number 2549-51-1 is also called Acetic acid, 2-chloro-,ethenyl ester. The IUPAC name is ethenyl 2-chloroacetate. Its molecular formula is C4H5ClO2. The EINECS registry number is 219-834-3. This chemical belongs to the following product categories: (1)C2 to C5; (2)Carbonyl Compounds; (3)Esters.
The properties of the chemical are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.17; (6)ACD/BCF (pH 7.4): 3.17; (7)ACD/KOC (pH 5.5): 79.53; (8)ACD/KOC (pH 7.4): 79.53; (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: 1.428; (14)Molar Refractivity: 26.92 cm3; (15)Molar Volume: 104.5 cm3; (16)Polarizability: 10.67×10-24cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Enthalpy of Vaporization: 36.17 kJ/mol; (19)Vapour Pressure: 13.2 mmHg at 25°C.
Uses: This chemical can react with octan-1-ol to prepare chloro-acetic acid octyl ester. This reaction needs reagent 1,3-dichlorotetrabutyldistannoxane at temperature of 50°C. The reaction time is 17 hours. The yield is 96%.
While using this chemical, you should be very cautious. This chemical is flammable and harmful by inhalation, in contact with skin and if swallowed. It can cause burns.. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)O\C=C
(2)InChI: InChI=1/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
(3)InChIKey: XJELOQYISYPGDX-UHFFFAOYAH