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Acetic acid,2,2-dichloro-2-methoxy-, methyl ester

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Name

Acetic acid,2,2-dichloro-2-methoxy-, methyl ester

EINECS N/A
CAS No. 17640-25-4 Density 1.359 g/cm3
PSA 35.53000 LogP 0.93720
Solubility N/A Melting Point N/A
Formula C4H6Cl2O3 Boiling Point 180 °C at 760 mmHg
Molecular Weight 172.996 Flash Point 90.6 °C
Transport Information UN 3265 Appearance Colorless Liquid
Safety 23-26-27-36/37/39-45 Risk Codes 34-36/37
Molecular Structure Molecular Structure of 17640-25-4 (DICHLOROMETHOXYACETIC ACID METHYL ESTER) Hazard Symbols CorrosiveC
Synonyms

Aceticacid, dichloromethoxy-, methyl ester (8CI,9CI);Methyl dichloromethoxyacetate;Methyl methoxydichloroacetate;Methyl 2,2-dichloro-2-methoxyacetate;ZINC02539451;297917_ALDRICH;AC1MC522;CID2724502;Dichloromethoxyacetic Acid Methyl Ester;

Article Data 5

Acetic acid,2,2-dichloro-2-methoxy-, methyl ester Specification

The Acetic acid,2,2-dichloro-2-methoxy-, methyl ester with CAS registry number of 17640-25-4 is also known as Methyl dichloromethoxyacetate. The IUPAC name is Methyl 2,2-dichloro-2-methoxyacetate. It belongs to product categories of C2 to C5; Carbonyl Compounds; Esters. In addition, the formula is C4H6Cl2O3 and the molecular weight is 172.99.

Physical properties about Acetic acid,2,2-dichloro-2-methoxy-, methyl ester are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.49; (6)ACD/BCF (pH 7.4): 12.49; (7)ACD/KOC (pH 5.5): 212.11; (8)ACD/KOC (pH 7.4): 212.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 33.76 cm3; (15)Molar Volume: 127.2 cm3; (16)Polarizability: 13.38×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 41.63 kJ/mol; (21)Boiling Point: 180 °C at 760 mmHg; (22)Vapour Pressure: 0.915 mmHg at 25 °C.

Uses of Acetic acid,2,2-dichloro-2-methoxy-, methyl ester: it is used to produce [Methoxy(methoxycarbonyl)chloromethyl]phosphonic dichloride and Chloromethane by reaction with Phosphorodichloridous acid methyl ester. The reaction occurs with reagent FeCl3 and other condition of 60-80 °C for 0.75 hour(s). The yield is about 70%.

Acetic acid,2,2-dichloro-2-methoxy-, methyl ester is used to produce [Methoxy(methoxycarbonyl)chloromethyl]phosphonic dichloride and Chloromethane by reaction with Phosphorodichloridous acid methyl ester.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and respiratory system and it causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray. After using it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. What's more, in case of accident or if you feel unwell seek medical advice immediately

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC)C(Cl)(Cl)OC
2. InChI: InChI=1/C4H6Cl2O3/c1-8-3(7)4(5,6)9-2/h1-2H3
3. InChIKey: FWIGIASHGJFYOL-UHFFFAOYAE
4. Std. InChI: InChI=1S/C4H6Cl2O3/c1-8-3(7)4(5,6)9-2/h1-2H3
5. Std. InChIKey: FWIGIASHGJFYOL-UHFFFAOYSA-N

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