Cas no 681135-29-5 (Benzene, 4-bromo-1-chloro-2-(methoxymethyl)-)
681135-29-5 structure
Product Name:Benzene, 4-bromo-1-chloro-2-(methoxymethyl)-
CAS No:681135-29-5
MF:C8H8BrClO
MW:235.505520820618
CID:1729554
PubChem ID:57840294
Update Time:2025-04-21
Benzene, 4-bromo-1-chloro-2-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-1-chloro-2-(methoxymethyl)benzene
- Benzene, 4-bromo-1-chloro-2-(methoxymethyl)-
- DB-340075
- 681135-29-5
- SCHEMBL2870657
- A1-59825
-
- Inchi： 1S/C8H8BrClO/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5H2,1H3
- InChI Key： VDQYXLQPXWGHPE-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=C1)COC)Cl
Computed Properties
- Exact Mass: 233.94474
- Monoisotopic Mass: 233.94471g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 121
- 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: 2.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 4-bromo-1-chloro-2-(methoxymethyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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