Cas no 887585-20-8 (Benzene,5-(bromomethyl)-1,2-difluoro-3-methoxy-)
887585-20-8 structure
Product Name:Benzene,5-(bromomethyl)-1,2-difluoro-3-methoxy-
CAS No:887585-20-8
MF:C8H7BrF2O
MW:237.041388750076
CID:713406
PubChem ID:40427025
Update Time:2025-04-19
Benzene,5-(bromomethyl)-1,2-difluoro-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,5-(bromomethyl)-1,2-difluoro-3-methoxy-
- 4-(Bromomethyl)-6-methoxy-1,2-difluorobenzene
- 5-(bromomethyl)-1,2-difluoro-3-methoxybenzene
- -​
- (bromomethyl)​
- 1,​
- 2-​
- 3-​
- 5-​
- difluoro-​
- methoxybenzene
- DTXSID60654225
- AKOS015961008
- 887585-20-8
- AB21049
-
- MDL： MFCD04972456
- Inchi： 1S/C8H7BrF2O/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3H,4H2,1H3
- InChI Key： YBSQDVSUHYQQLV-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C(=C(C=1)OC)F)F
Computed Properties
- Exact Mass: 235.96500
- Monoisotopic Mass: 235.96483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 145
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.7
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.566
- Boiling Point: 238°C at 760 mmHg
- Flash Point: 117.4°C
- Refractive Index: 1.514
- PSA: 9.23000
- LogP: 2.86830
Benzene,5-(bromomethyl)-1,2-difluoro-3-methoxy- Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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