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| CAS No.: | 14337-43-0 |
|---|---|
| Name: | 2-CHLORO-2-HYDROXYIMINOACETIC ACID ETHYL ESTER |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C4H6ClNO3 |
| Molecular Weight: | 151.55 |
| Synonyms: | Aceticacid, chloro(hydroxyimino)-, ethyl ester (9CI);Glyoxylic acid, chloro-, ethylester, 2-oxime (8CI);Glyoxylic acid, chloro-, ethyl ester, oxime (6CI);(Carbethoxy)chloroformaldoxime;(Chloro)(hydroxyimino)acetic acid ethyl ester;(Ethoxycarbonyl)formohydroxamoyl chloride;(Ethoxycarbonyl)hydroxamic acidchloride;2-Chloro-2-(hydroxyimino)acetic acid ethyl ester;Ethyl(chloroximino)glyoxylate;Ethyl 2-chloro-2-hydroxyiminoacetate;Ethylchloro(hydroxyimino)acetate;Ethyl chloro(hydroxyimino)acetete;Ethylchloro(oximido)acetate;Ethyl chloro(oximino)acetate;Ethyl chloroglyoxylate2-oxime;Ethyl chloroximidoacetate; |
| EINECS: | 604-347-4 |
| Density: | 1.36 g/cm3 |
| Melting Point: | 70-76 °C(lit.) |
| Boiling Point: | 230.5 °C at 760 mmHg |
| Flash Point: | 93.2 °C |
| Appearance: | Brown crystal |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 41-42/43-36/37/38 |
| Safety: | 22-26-36/37/39-45 |
| Transport Information: | UN 3335 |
| PSA: | 58.89000 |
| LogP: | 0.57600 |
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Specification
The Ethyl Chlorooximidoacetate, with the CAS registry number 14337-43-0, is also known as 2-Chloro-2-hydroxyiminoacetic acid ethyl ester. It belongs to the product categories of Acids and Derivatives; API. This chemical's molecular formula is C4H6ClNO3 and molecular weight is 151.54834. Its IUPAC name is called ethyl (2Z)-2-chloro-2-hydroxyiminoacetate. The product should be sealed and stored at 2-8°C.
Physical properties of Ethyl Chlorooximidoacetate: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 158; (7)ACD/KOC (pH 7.4): 113; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 31.538 cm3; (13)Molar Volume: 110.897 cm3; (14)Surface Tension: 40.856 dyne/cm; (15)Density: 1.367 g/cm3; (16)Flash Point: 93.232 °C; (17)Enthalpy of Vaporization: 54.31 kJ/mol; (18)Boiling Point: 230.547 °C at 760 mmHg; (19)Vapour Pressure: 0.012 mmHg at 25°C.
Preparation: this chemical can be prepared by glycine ethyl ester; hydrochloride. This reaction will need reagent aq. HCl and NaNO2. The reaction temperature is -5 °C. The yield is about 54%.
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Uses of Ethyl Chlorooximidoacetate: it can be used to produce 5-ethoxy-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester. This reaction will need reagent aq. Na2CO3 and solvent diethyl ether.
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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 and may cause damage to health. 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 clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(=NO)Cl
(2)Isomeric SMILES: CCOC(=O)/C(=N/O)/Cl
(3)InChI: InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3/b6-3-
(4)InChIKey: UXOLDCOJRAMLTQ-UTCJRWHESA-N