Cas no 80438-67-1 (3,5-di-tert-butyl chlorobenzene)
80438-67-1 structure
Product Name:3,5-di-tert-butyl chlorobenzene
CAS No:80438-67-1
MF:C14H21Cl
MW:224.769543409348
CID:861757
PubChem ID:144923
Update Time:2025-04-19
3,5-di-tert-butyl chlorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 3,5-di-tert-butyl chlorobenzene
- 1,3-ditert-butyl-5-chlorobenzene
- 80438-67-1
- Benzene, 1-chloro-3,5-bis(1,1-dimethylethyl)-
- DTXSID00230320
- SCHEMBL10183607
- 1,3-Di-tert-butyl-5-chlorobenzene
-
- Inchi： 1S/C14H21Cl/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
- InChI Key： UMPNQCBQSXTKID-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 224.1331784g/mol
- Monoisotopic Mass: 224.1331784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 5.9
- Topological Polar Surface Area: 0?2
3,5-di-tert-butyl chlorobenzene Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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