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Name	4-Chloroacetoacetanilide	EINECS	254-276-4
CAS No.	39082-00-3	Density	1.279g/cm³
PSA	49.66000	LogP	2.71600
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₀ClNO₂	Boiling Point	432.5°Cat760mmHg
Molecular Weight	211.648	Flash Point	215.4°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x and Cl⁻.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	4-Chloroacetoacetanilide;ACETOACETANILIDE,4-CHLORO;4-chloro-acetoacetic acid anilide;2-chloroacetylacetanilide;2-chloroacetoacetanilide;chloroacetoacetanilide;EINECS 254-276-4;Butanamide,4-chloro-3-oxo-N-phenyl;	Article Data	6

4-Chloroacetoacetanilide Chemical Properties

Product Name: 4-Chloroacetoacetanilide (CAS NO.39082-00-3)

Molecular Formula: C₁₀H₁₀ClNO₂
Molecular Weight: 211.66g/mol
Mol File: 39082-00-3.mol
EINECS: 254-276-4
Boiling point: 432.5 °C at 760 mmHg
Flash Point: 215.4 °C
Density: 1.279 g/cm³
Surface Tension: 47.6 dyne/cm
Enthalpy of Vaporization: 68.83 kJ/mol
Vapour Pressure: 1.1E-07 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 4-Chloroacetoacetanilide (CAS NO.39082-00-3):
IUPAC Name: 4-Chloro-3-oxo-N-phenylbutanamide
Canonical SMILES: C1=CC=C(C=C1)NC(=O)CC(=O)CCl
InChI: InChI=1S/C10H10ClNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
InChIKey: CJLSDBRIXZFCKV-UHFFFAOYSA-N

4-Chloroacetoacetanilide Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	71mg/kg (71mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987.
mouse	LD50	oral	1780mg/kg (1780mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(1), Pg. 49, 1987.
rabbit	LD50	oral	1780mg/kg (1780mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(1), Pg. 49, 1987.
rat	LD50	intraperitoneal	59mg/kg (59mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987.
rat	LD50	oral	1825mg/kg (1825mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(1), Pg. 49, 1987.
rat	LD50	subcutaneous	4500mg/kg (4500mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(1), Pg. 49, 1987.

4-Chloroacetoacetanilide Consensus Reports

Reported in EPA TSCA Inventory.

4-Chloroacetoacetanilide Safety Profile

A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x and Cl⁻.

4-Chloroacetoacetanilide Specification

4-Chloroacetoacetanilide , its CAS NO. is 39082-00-3, the synonyms are 3-12-00-00995 (Beilstein Handbook Reference) ; 4-Chloro-3-oxo-N-phenylbutanamide ; Acetoacetanilide, 4-chloro- ; BRN 2369400 ; Butanamide, 4-chloro-3-oxo-N-phenyl- ; EINECS 254-276-4 ; gamma-Chloroaceto acetic acid anilide ; gamma-Chloroacetoacetanilide ; Butanamide, 4-chloro-3-oxo-N-phenyl- .

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