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498-67-9

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Basic Information
CAS No.: 498-67-9
Name: (DICHLOROFLUOROMETHYL)BENZENE
Article Data: 13
Molecular Structure:
Molecular Structure of 498-67-9 ((DICHLOROFLUOROMETHYL)BENZENE)
Formula: C7H5Cl2F
Molecular Weight: 179.021
Synonyms: Benzene, (dichlorofluoromethyl)-;
Density: 1.327g/cm3
Melting Point: -26.8°C
Boiling Point: 179°C at 760 mmHg
Flash Point: 73.2°C
Safety: Poison by inhalation route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of F− and Cl−.
PSA: 0.00000
LogP: 3.24400
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Chemistry

Molecular Structure of (Dichlorofluoromethyl)benzene (CAS NO. 498-67-9):

EINECS: 207-867-6
IUPAC Name: [Dichloro(fluoro)methyl]benzene 
Molecular Formula: C7H5Cl2F
Molecular Weight: 179.019003 g/mol
XLogP3: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: C1=CC=C(C=C1)C(F)(Cl)Cl
InChI: InChI=1S/C7H5Cl2F/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey: OMEURKZGLJYCGS-UHFFFAOYSA-N
Index of Refraction: 1.514
Molar Refractivity: 40.6 cm3
Molar Volume: 134.8 cm3
Surface Tension: 32.6 dyne/cm
Density: 1.327 g/cm3
Flash Point: 73.2 °C
Enthalpy of Vaporization: 39.82 kJ/mol
Boiling Point: 179 °C at 760 mmHg
Vapour Pressure: 1.3 mmHg at 25 °C
BRN: 1932694

Toxicity Data With Reference

1.    

orl-rat LD50:450 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 31 (4)(1987),46.
2.    

ihl-rat LC50:2 g/m3

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 31 (4)(1987),46.
3.    

orl-mus LD50:1875 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 31 (4)(1987),46.
4.    

ihl-mus LC50:3100 mg/m3

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 31 (4)(1987),46.
5.    

ihl-uns LC50:3200 mg/m3

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 30 (3)(1986),6.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of (Dichlorofluoromethyl)benzene (CAS NO. 498-67-9):
Hazard Codes: Xi Irritant
Hazard Note: Irritant
Poison by inhalation route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of F− and Cl−.

Specification

  (Dichlorofluoromethyl)benzene with cas registry number of 498-67-9 is known as alpha,alpha-Dichloro-alpha-fluorotoluene ; 4-05-00-00818 (Beilstein Handbook Reference) ; Benzene, (dichlorofluoromethyl)- ; Toluene, alpha,alpha-dichloro-alpha-fluoro- .