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Monochloro diphenyl oxide

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Name

Monochloro diphenyl oxide

EINECS N/A
CAS No. 55398-86-2 Density 1.1409 (rough estimate)
PSA 9.23000 LogP 4.78570
Solubility N/A Melting Point -8oC
Formula C12H9 Cl O Boiling Point 293.89°C (rough estimate)
Molecular Weight 204.66 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl. See also ETHERS and CHLORINATED HYDROCARBONS, ALIPHATIC. Risk Codes N/A
Molecular Structure Molecular Structure of 55398-86-2 (Monochlorophenyl ether) Hazard Symbols N/A
Synonyms

Chlorodiphenylether; Chlorophenyl phenyl ether; Monochlorodiphenyl oxide

 

Monochloro diphenyl oxide Chemical Properties

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

Monochloro diphenyl oxide Toxicity Data With Reference

1.    

orl-gpg LDLo:600 mg/kg

    14CYAT    Industrial Hygiene and Toxicology. 2 (1963),1707.

Monochloro diphenyl oxide Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl. See also ETHERS and CHLORINATED HYDROCARBONS, ALIPHATIC.

Monochloro diphenyl oxide Standards and Recommendations

OSHA PEL: TWA 500 µg/m3

Monochloro diphenyl oxide Specification

 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 .

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