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Cas Database |
| Name |
(Dichlorofluoromethyl)benzene |
EINECS | N/A |
| CAS No. | 498-67-9 | Density | 1.327g/cm3 |
| PSA | 0.00000 | LogP | 3.24400 |
| Solubility | N/A | Melting Point |
-26.8°C |
| Formula | C7H5Cl2F | Boiling Point | 179°C at 760 mmHg |
| Molecular Weight | 179.021 | Flash Point | 73.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by inhalation route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of F− and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzene, (dichlorofluoromethyl)-; |
Article Data | 13 |
(Dichlorofluoromethyl)benzene Chemical Properties
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
(Dichlorofluoromethyl)benzene 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. |
(Dichlorofluoromethyl)benzene Consensus Reports
Reported in EPA TSCA Inventory.
(Dichlorofluoromethyl)benzene Safety Profile
Safety Information of (Dichlorofluoromethyl)benzene (CAS NO. 498-67-9):
Hazard Codes: Xi 
Hazard Note: Irritant
Poison by inhalation route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of F− and Cl−.
(Dichlorofluoromethyl)benzene 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- .
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