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2267-25-6 molecular structure
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2-chloro-4-fluoro-1-methoxybenzene

ChemBase ID: 12374
Molecular Formular: C7H6ClFO
Molecular Mass: 160.5733432
Monoisotopic Mass: 160.00912071
SMILES and InChIs

SMILES:
c1c(cc(c(c1)OC)Cl)F
Canonical SMILES:
COc1ccc(cc1Cl)F
InChI:
InChI=1S/C7H6ClFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKey:
RKCGJVGMRPKPNY-UHFFFAOYSA-N

Cite this record

CBID:12374 http://www.chembase.cn/molecule-12374.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-fluoro-1-methoxybenzene
IUPAC Traditional name
2-chloro-4-fluoro-1-methoxybenzene
Synonyms
2-Chloro-4-fluoroanisole
2-Chloro-4-fluoroanisole
2-Chloro-4-fluoro-1-methoxybenzene
2-Chloro-4-fluoroanisole 98%
2-氯-4-氟苯甲醚
CAS Number
2267-25-6
MDL Number
MFCD00672965
PubChem SID
24873582
160975681
PubChem CID
2773580

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5623212  LogD (pH = 7.4) 2.5623212 
Log P 2.5623212  Molar Refractivity 37.5424 cm3
Polarizability 14.477035 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)
Boiling Point
197-200 °C(lit.) expand Show data source
197-200°C expand Show data source
197-200°C expand Show data source
Flash Point
168.8 °F expand Show data source
76 °C expand Show data source
76°C expand Show data source
76°C(170°F) expand Show data source
Density
1.29 expand Show data source
1.29 g/mL at 25 °C(lit.) expand Show data source
1.290 expand Show data source
Refractive Index
1.5190 expand Show data source
n20/D 1.519(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
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 Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
ClC6H3(F)OCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 516740 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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