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4116-10-3

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Basic Information
CAS No.: 4116-10-3
Name: 2-CHLORO-N-METHYLACETOACETAMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 4116-10-3 (2-CHLORO-N-METHYLACETOACETAMIDE)
Formula: C5H8 Cl N O2
Molecular Weight: 149.577
Synonyms: Acetoacetamide,2-chloro-N-methyl- (7CI,8CI); 2-Chloro-N-methyl-3-oxobutanamide;2-Chloro-N-methylacetoacetamide; N-Methyl-2-chloroacetoacetamide
Density: 1.188g/cm3
Melting Point: 78-80 °C
Boiling Point: 284.1°Cat760mmHg
Flash Point: 125.6°C
Hazard Symbols:
Risk Codes: 22-24-37/38-41-43
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 46.17000
LogP: 0.31970
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Chemistry

IUPAC Name: 2-Chloro-N-methyl-3-oxobutanamide
Synonyms of α-Chloroacetoacetic acid monoethyl-amide (CAS NO.4116-10-3): 2-Chloro-N-methyl-3-oxobutanamide ; 2-Chloro-N-methylacetoacetamide ; N-Methyl-2 chloroacetoacetamide ; alpha-Chloracetessigsaeureaethylamid ; alpha-Chloroacetoacetic acid monoethylamide ; Acetoacetamide, 2-chloro-N-ethyl- ; Butanamide, 2-chloro-N-methyl-3-oxo-
CAS NO: 4116-10-3
Molecular Formula: C5H8ClNO2
Molecular Weight : 149.5755
Molecular Structure:
EINECS: 223-907-5
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 37.38 Å2
Index of Refraction: 1.447
Molar Refractivity: 33.67 cm3
Molar Volume: 125.8 cm3
Surface Tension: 34.4 dyne/cm
Density: 1.188 g/cm3
Flash Point: 125.6 °C
Enthalpy of Vaporization: 52.31 kJ/mol
Boiling Point: 284.1 °C at 760 mmHg
Vapour Pressure: 0.00304 mmHg at 25°C
Melting Point: 78-80°C

Uses

 α-Chloroacetoacetic acid monoethyl-amide (CAS NO.4116-10-3) is a dedicated intermediates of pesticide monocrotophos .

Production

Add Acetoacetyl methylamine aqueous solution in enamel reactor , then add salt and urea plus a small amount of Dichloroethane, set it cooled to -15 °C with stirring, and then slowly pass chlorine gas into the reactor, After passing a certain amount of chlorine gas, sample analysis, then aspirated into extraction kettle, heated to 40°C, with Dichloroethane extraction, concentrated extract drawn into the reactor, steamed out of Dichloroethane under normal pressure, that is α-Chloro-acetyl-acetyl-methylamine , directly put it into the synthesis reactor for the next step reaction.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Archiv fuer Toxikologie. Vol. 18, Pg. 316, 1960.
rat LD50 oral 700mg/kg (700mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Archiv fuer Toxikologie. Vol. 18, Pg. 316, 1960.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: ToxicT
Risk Statements: 22-24-37/38-41-43
R22 :Harmful if swallowed. 
R24: α-Chloroacetoacetic acid monoethyl-amide (CAS NO.4116-10-3) is toxic in contact with skin. 
R37/38: Irritating to respiratory system and skin. 
R41: Risk of serious damage to the eyes. 
R43: May cause sensitization by skin contact.
Safety Statements: 26-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28: After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2923
RTECS: AK3910000
HazardClass: 8
PackingGroup: III 

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.