Cas no 551-76-8 (Phenol,2,4,6-trichloro-3-methyl-)
551-76-8 structure
Product Name:Phenol,2,4,6-trichloro-3-methyl-
Phenol,2,4,6-trichloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,4,6-trichloro-3-methyl-
- 2,4,6-trichloro-3-methylphenol
- 2,4,6-trichloro-m-cresol
- m-Cresol,2,4,6-trichloro- (7CI,8CI)
- 551-76-8
- D0H0QF5KL9
- M-CRESOL, 2,4,6-TRICHLORO-
- Phenol, 2,4,6-trichloro-3-methyl-
- UNII-D0H0QF5KL9
- SCHEMBL10771021
- DTXSID30203623
- 2,4,6-TRICHLORO-M-CRESOL [MI]
- Q27275937
- 2,4,6-Trichlor-m-kresol
-
- Inchi： 1S/C7H5Cl3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
- InChI Key： QTAATZDGGZYBDC-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=C(C=1C)Cl)Cl)O
Computed Properties
- Exact Mass: 209.94075
- Monoisotopic Mass: 209.940598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 142
- 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: 3.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.4907 (rough estimate)
- Melting Point: 46°C
- Boiling Point: 303.65°C (rough estimate)
- Refractive Index: 1.5510 (estimate)
- PSA: 20.23
Phenol,2,4,6-trichloro-3-methyl- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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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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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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