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Acetamide,2-chloro-N-methoxy-N-methyl-

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Name

Acetamide,2-chloro-N-methoxy-N-methyl-

EINECS N/A
CAS No. 67442-07-3 Density 1.178 g/cm3
PSA 29.54000 LogP 0.24500
Solubility Insoluble in water. Melting Point 39-41 °C(lit.)
Formula C4H8ClNO2 Boiling Point 141.5 °C at 760 mmHg
Molecular Weight 137.566 Flash Point 39.4 °C
Transport Information N/A Appearance white to light yellow crystals
Safety 23-26-27-28-37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 67442-07-3 (2-CHLORO-N-METHOXY-N-METHYLACETAMIDE) Hazard Symbols HarmfulXn
Synonyms

2-Chloro-N-methoxy-N-methylacetamide;N-Methoxy-N-methylchloroacetamide;apha-Chloro-N-methoxy-N-methylacetamide;

Article Data 39

Acetamide,2-chloro-N-methoxy-N-methyl- Specification

The Acetamide,2-chloro-N-methoxy-N-methyl-, with the CAS registry number 67442-07-3, is also known as N-Methoxy-N-methylchloroacetamide. It belongs to the product categories of Halides; Amides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C4H8ClNO2 and formula weight is 137.56. What's more, its IUPAC name is 2-chloro-N-methoxy-N-methylacetamide. The product should be sealed and stored in a cool and dry place and be protected from heat and strong oxidizers.

Physical properties of Acetamide,2-chloro-N-methoxy-N-methyl- are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 21.49; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.442; (11)Molar Refractivity: 30.92 cm3; (12)Molar Volume: 116.6 cm3; (13)Surface Tension: 33.2 dyne/cm; (14)Density: 1.178 g/cm3; (15)Flash Point: 39.4 °C; (16)Enthalpy of Vaporization: 37.87 kJ/mol; (17)Boiling Point: 141.5 °C at 760 mmHg; (18)Vapour Pressure: 5.83 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride, N,O-dimethyl-hydroxylamine; hydrochloride at the ambient temperature. This reaction will need reagent pyridine and solvent CH2Cl2 with the reaction time of 18 hours. The yield is about 75%.

Uses of Acetamide,2-chloro-N-methoxy-N-methyl-: it can be used to produce N-methoxy-N-methyl-2-(triphenylphosphoranylidene)acetamide. It will need solvent acetonitrile with the reaction time of 15 hours. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you must wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C(=O)CCl)OC
(2)InChI: InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3
(3)InChIKey: SCOJKGRNQDKFRP-UHFFFAOYSA-N

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