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25201-35-8

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Basic Information
CAS No.: 25201-35-8
Name: pentachloroacetophenone
Article Data: 4
Molecular Structure:
Molecular Structure of 25201-35-8 (pentachloroacetophenone)
Formula: C8H3 Cl5 O
Molecular Weight: 292.376
Synonyms: Acetophenone,2',3',4',5',6'-pentachloro- (6CI,8CI); Ethanone, 1-(pentachlorophenyl)- (9CI);Acetylpentachlorobenzene
Density: 1.617g/cm3
Melting Point: 90°C
Boiling Point: 342.8°Cat760mmHg
Flash Point: 144.7°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion and skin contact. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
PSA: 17.07000
LogP: 5.15620
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Chemistry

Empirical Formula of Pentachloroacetophenone (CAS NO.25201-35-8): C8H3Cl5O
Molecular Weight: 292.3738 
Index of Refraction: 1.587
Density: 1.617 g/cm3
Flash Point: 144.7 °C
Enthalpy of Vaporization: 58.66 kJ/mol
Boiling Point: 342.8 °C at 760 mmHg
Vapour Pressure: 7.36E-05 mmHg at 25 °C
Structure of Pentachloroacetophenone (CAS NO.25201-35-8):
                 
IUPAC Name: 1-(2,3,4,5,6-Pentachlorophenyl)ethanone
Canonical SMILES: CC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C8H3Cl5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3
InChIKey: HPWXYMIPHGLDLX-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1250 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),48.
2.    

skn-rat LD50:1800 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),48.
3.    

ipr-rat LD50:290 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),48.
4.    

orl-mus LD50:700 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),48.
5.    

ipr-mus LD50:160 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (3)(1980),48.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion and skin contact. Experimental reproductive effects. When heated to decomposition Pentachloroacetophenone (CAS NO.25201-35-8) emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.

Specification

 Pentachloroacetophenone , its cas register number is 25201-35-8. It also can be called 1-(Pentachlorophenyl)ethanone ; Acetophenone, 2',3',4',5',6'-pentachloro- ; and Ethanone, 1-(pentachlorophenyl)- (9CI) .