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CAS No.: | 498-67-9 |
---|---|
Name: | (DICHLOROFLUOROMETHYL)BENZENE |
Article Data: | 13 |
Molecular Structure: | |
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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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
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. |
Reported in EPA TSCA Inventory.
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 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- .