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CAS No.: | 55398-86-2 |
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Name: | Monochlorophenyl ether |
Molecular Structure: | |
Formula: | C12H9 Cl O |
Molecular Weight: | 204.66 |
Synonyms: | Chlorodiphenylether; Chlorophenyl phenyl ether; Monochlorodiphenyl oxide |
Density: | 1.1409 (rough estimate) |
Melting Point: | -8oC |
Boiling Point: | 293.89°C (rough estimate) |
Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. See also ETHERS and CHLORINATED HYDROCARBONS, ALIPHATIC. |
PSA: | 9.23000 |
LogP: | 4.78570 |
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Molecule structure of Monochloro diphenyl oxide (CAS NO.55398-86-2):
IUPAC Name: 1-Chloro-4-phenoxybenzene
Molecular Weight: 204.65226 g/mol
Molecular Formula: C12H9ClO
Density: 1.19 g/cm3
Boiling Point: 283.7 °C at 760 mmHg
Flash Point: 128.1 °C
Index of Refraction: 1.584
Molar Refractivity: 57.59 cm3
Molar Volume: 171.9 cm3
Polarizability: 22.83×10-24 cm3
Surface Tension: 40.6 dyne/cm
Enthalpy of Vaporization: 50.17 kJ/mol
Vapour Pressure: 0.00533 mmHg at 25 °C
XLogP3: 4.3
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 204.034193
MonoIsotopic Mass: 204.034193
Topological Polar Surface Area: 9.2
Heavy Atom Count: 14
Complexity: 158
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
InChI: InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey of Monochloro diphenyl oxide (CAS NO.55398-86-2): PGPNJCAMHOJTEF-UHFFFAOYSA-N
1. | orl-gpg LDLo:600 mg/kg | 14CYAT Industrial Hygiene and Toxicology. 2 (1963),1707. |
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. See also ETHERS and CHLORINATED HYDROCARBONS, ALIPHATIC.
OSHA PEL: TWA 500 µg/m3
Monochloro diphenyl oxide (CAS NO.55398-86-2) is also named as AI3-01021 ; Monochloro diphenyl ether ; Phenyl ether mono-chloro ; Benzene, chlorophenoxy- ; Ether, monochlorophenyl .