Home > Compound List > Compound details
500912-17-4 molecular structure
click picture or here to close

2-(bromomethyl)-1-fluoro-3-methoxybenzene

ChemBase ID: 93499
Molecular Formular: C8H8BrFO
Molecular Mass: 219.0509232
Monoisotopic Mass: 217.9742551
SMILES and InChIs

SMILES:
O(c1cccc(c1CBr)F)C
Canonical SMILES:
COc1cccc(c1CBr)F
InChI:
InChI=1S/C8H8BrFO/c1-11-8-4-2-3-7(10)6(8)5-9/h2-4H,5H2,1H3
InChIKey:
PVKFBCBTHHTDEX-UHFFFAOYSA-N

Cite this record

CBID:93499 http://www.chembase.cn/molecule-93499.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomethyl)-1-fluoro-3-methoxybenzene
IUPAC Traditional name
2-(bromomethyl)-1-fluoro-3-methoxybenzene
Synonyms
2-Fluoro-6-methoxybenzyl bromide
2-(Bromomethyl)-3-fluoroanisole
2-(Bromomethyl)-1-fluoro-3-methoxybenzene
2-(Bromomethyl)-3-fluorophenyl methyl ether
2-Fluoro-6-methoxybenzyl bromide
2-氟-6-甲氧基苄基溴
CAS Number
500912-17-4
MDL Number
MFCD08688579
PubChem SID
162080184
PubChem CID
2779322

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2779322 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7310138  LogD (pH = 7.4) 2.7310138 
Log P 2.7310138  Molar Refractivity 45.588 cm3
Polarizability 17.209822 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
18-21°C expand Show data source
18-21°C expand Show data source
Refractive Index
1.5570 expand Show data source
Storage Warning
Corrosive/Irritant/Lachrymatory/Light Sensitive/Store under Argon/Keep Cold expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Purity
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