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331-64-6 molecular structure
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2-fluoro-4-methoxybenzaldehyde

ChemBase ID: 7505
Molecular Formular: C8H7FO2
Molecular Mass: 154.1383832
Monoisotopic Mass: 154.04300768
SMILES and InChIs

SMILES:
c1c(cc(c(c1)C=O)F)OC
Canonical SMILES:
COc1ccc(c(c1)F)C=O
InChI:
InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey:
UNWQNFJBBWXFBG-UHFFFAOYSA-N

Cite this record

CBID:7505 http://www.chembase.cn/molecule-7505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-4-methoxybenzaldehyde
IUPAC Traditional name
2-fluoro-4-methoxybenzaldehyde
Synonyms
2-Fluoro-4-methoxybenzaldehyde
2-Fluoro-4-methoxybenzaldehyde
2-Fluoro-p-anisaldehyde
3-Fluoro-4-formylanisole
2-Fluoro-4-methoxybenzaldehyde 97%
2-氟对茴香醛
2-氟-4-甲氧基苯甲醛
CAS Number
331-64-6
EC Number
000-000-0
MDL Number
MFCD00236679
Beilstein Number
3237954
PubChem SID
160970812
24877633
PubChem CID
2734873

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6707789  LogD (pH = 7.4) 1.6707789 
Log P 1.6707789  Molar Refractivity 39.3216 cm3
Polarizability 14.456616 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
42-47°C expand Show data source
43-48 °C(lit.) expand Show data source
43-48°C expand Show data source
44-46°C expand Show data source
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>230 °F expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT, AIR SENSITIVE expand Show data source
Irritant/Air Sensitive/Store under Argon/Keep Cold 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
26-37 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-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
FC6H3(OCH3)CHO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 528986 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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