Home > Compound List > Compound details
202865-61-0 molecular structure
click picture or here to close

2-bromo-1,3-difluoro-5-methoxybenzene

ChemBase ID: 69569
Molecular Formular: C7H5BrF2O
Molecular Mass: 223.0148064
Monoisotopic Mass: 221.94918322
SMILES and InChIs

SMILES:
c1(c(c(cc(c1)OC)F)Br)F
Canonical SMILES:
COc1cc(F)c(c(c1)F)Br
InChI:
InChI=1S/C7H5BrF2O/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H3
InChIKey:
GEJMNTXYFBBTFH-UHFFFAOYSA-N

Cite this record

CBID:69569 http://www.chembase.cn/molecule-69569.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1,3-difluoro-5-methoxybenzene
IUPAC Traditional name
2-bromo-1,3-difluoro-5-methoxybenzene
Synonyms
2-Bromo-1,3-difluoro-5-methoxybenzene
2-Bromo-1,3-difluoro-5-methoxybenzene
4-Bromo-3,5-difluorophenyl methyl ether
3,5-Difluoro-4-Bromoanisole
4-Bromo-3,5-difluoroanisole
4-BroMo-3,5-difluoroanisole
4-Bromo-3,5-difluoroanisole 99%
4-溴-3,5-二氟苯甲醚
CAS Number
202865-61-0
MDL Number
MFCD00143268
PubChem SID
162035295
PubChem CID
2724984

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.869731  LogD (pH = 7.4) 2.869731 
Log P 2.869731  Molar Refractivity 40.5768 cm3
Polarizability 15.434577 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
26-30°C expand Show data source
26-30°C expand Show data source
Refractive Index
1.5228 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle