Cas no 96384-17-7 (p-Dichlorobenzene)
p-Dichlorobenzene structure
Product Name:p-Dichlorobenzene
CAS No:96384-17-7
MF:C6H4Cl2
MW:147.00195980072
CID:800249
Update Time:2024-02-01
p-Dichlorobenzene Chemical and Physical Properties
Names and Identifiers
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- p-Dichlorobenzene
- Benzene,1-chloro-4-(chloro-38Cl)- (9CI)
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- Inchi: 1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
- InChI Key: OCJBOOLMMGQPQU-UHFFFAOYSA-N
- SMILES: C1(Cl)=CC=C(Cl)C=C1
Computed Properties
- Exact Mass: 148.968
- Monoisotopic Mass: 148.968
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 54.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Flash Point: 66 °C
p-Dichlorobenzene Security Information
- Hazard Category Code: 36-40-50/53
- Safety Instruction: 36/37-46-60-61
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Hazardous Material Identification:
p-Dichlorobenzene Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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