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| CAS No.: | 5810-11-7 |
|---|---|
| Name: | N,N-DIMETHYL-2-CHLOROACETOACETAMIDE |
| Molecular Structure: | |
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| Formula: | C6H10 Cl N O2 |
| Molecular Weight: | 163.604 |
| Synonyms: | Acetoacetamide,2-chloro-N,N-dimethyl- (6CI,7CI,8CI); 2-Chloro-N,N-dimethyl-3-oxobutanamide;2-Chloro-N,N-dimethylacetoacetamide; 2-Chloroacetoacetic acidN,N-dimethylamide; N,N-Dimethyl-2-chloroacetoacetamide |
| Density: | 1.161g/cm3 |
| Melting Point: |
36 °C(lit.) |
| Boiling Point: |
95 °C0.7 mm Hg(lit.) |
| Flash Point: | 89°C |
| Hazard Symbols: | A poison by skin contact. Moderately toxic by ingestion. A severe skin and eye irritant. |
| Risk Codes: | R22; R38; R40; R41; R43 |
| Safety: | A poison by skin contact. Moderately toxic by ingestion. A severe skin and eye irritant. When heated to decomposition it emits toxic vapors of NOx and Cl−. |
| PSA: | 37.38000 |
| LogP: | 0.27100 |
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Chemistry
Molecular Structure of 2-Chloro-N,N-dimethyl-3-oxobutanamide (CAS NO.5810-11-7):
EINECS: 227-372-9
IUPAC Name: 2-Chloro-N,N-dimethyl-3-oxobutanamide
Molecular Formula: C6H10ClNO2
Molecular Weight: 163.6021 g/mol
XLogP3-AA 0.3
H-Bond Donor 0
H-Bond Acceptor 2
Canonical SMILES: CC(=O)C(C(=O)N(C)C)Cl
InChI: InChI=1S/C6H10ClNO2/c1-4(9)5(7)6(10)8(2)3/h5H,1-3H3
InChIKey: QJACRCAPQIYMIH-UHFFFAOYSA-N
Index of Refraction: 1.458
Molar Refractivity: 38.43 cm3
Molar Volume: 140.8 cm3
Surface Tension: 34.9 dyne/cm
Density: 1.161 g/cm3
Flash Point: 89 °C
Enthalpy of Vaporization: 52.23 kJ/mol
Boiling Point: 283.4 °C at 760 mmHg
Vapour Pressure: 0.00317 mmHg at 25 °C
Melting Point: 36 °C(lit.)
Water Solubility: 7.563e+004 mg/L at 25 °C
Refractive Index: n20/D 1.484(lit.)
Toxicity Data With Reference
| 1. | skn-rbt 500 µL/24H SEV | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534955 . | ||
| 2. | eye-rbt 100 µL/24H SEV | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534955 . | ||
| 3. | orl-rat LD50:500 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534955 . | ||
| 4. | skn-rat LDLo:250 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534955 . |
Safety Profile
Safety Information of 2-Chloro-N,N-dimethyl-3-oxobutanamide (CAS NO.5810-11-7):
Hazard Codes: Xn 
Risk Statements: 22-38-40-41-43
R22:Harmful if swallowed
R38:Irritating to skin
R40:Limited evidence of a carcinogenic effect
R41:Risk of serious damage to the eyes
R43:May cause sensitization by skin contact
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 2
RTECS: EJ3500846
A poison by skin contact. Moderately toxic by ingestion. A severe skin and eye irritant. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Specification
2-Chloro-N,N-dimethyl-3-oxobutanamide with CAS registry number of 5810-11-7 is light yellow clear liquid, also known as 2-Chloro-N,N-dimethylacetoacetamide ; Dimethylchloroacetoacetamide ; SD 5722 ; Butanamide, 2-chloro-N,N-dimethyl-3-oxo- .