Cas no 63992-61-0 (1,3-Benzenediol,4,6-dichloro-5-methyl-)
63992-61-0 structure
Product Name:1,3-Benzenediol,4,6-dichloro-5-methyl-
CAS No:63992-61-0
MF:C7H6Cl2O2
MW:193.02734041214
CID:513469
PubChem ID:116142
Update Time:2025-04-19
1,3-Benzenediol,4,6-dichloro-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,4,6-dichloro-5-methyl-
- 4,6-Dichloro-5-methyl-1,3-benzenediol
- 4,6-dichloro-5-methylbenzene-1,3-diol
- 4,6-Dichloro-1,3-dihydroxy-5-methylbenzene
- QR CQ DG FG E1 [WLN]
- DTXSID40213970
- 4,6-Dichloro-5-methylresorcinol
- Resorcinol, 4,6-dichloro-5-methyl-
- CHEBI:217339
- 2,6-dichloro-3,5-dihydroxytoluene
- 63992-61-0
- BRN 2557128
- Dichloroorcinol
-
- Inchi： 1S/C7H6Cl2O2/c1-3-6(8)4(10)2-5(11)7(3)9/h2,10-11H,1H3
- InChI Key： IVNCPSRGNXBTPP-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(=C(C=1C)Cl)O)O
Computed Properties
- Exact Mass: 191.97458
- Monoisotopic Mass: 191.974
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 128
- 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: 2.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.526
- Boiling Point: 294.4°C at 760 mmHg
- Flash Point: 131.8°C
- Refractive Index: 1.623
- PSA: 40.46
1,3-Benzenediol,4,6-dichloro-5-methyl- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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