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103438-88-6 molecular structure
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2-fluoro-3-methoxybenzaldehyde

ChemBase ID: 94401
Molecular Formular: C8H7FO2
Molecular Mass: 154.1383832
Monoisotopic Mass: 154.04300768
SMILES and InChIs

SMILES:
O=Cc1c(c(ccc1)OC)F
Canonical SMILES:
COc1cccc(c1F)C=O
InChI:
InChI=1S/C8H7FO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3
InChIKey:
LIHCOUDNHILORI-UHFFFAOYSA-N

Cite this record

CBID:94401 http://www.chembase.cn/molecule-94401.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-3-methoxybenzaldehyde
IUPAC Traditional name
2-fluoro-3-methoxybenzaldehyde
Synonyms
2-Fluoro-3-methoxybenzaldehyde
2-Fluoro-3-formylanisole
2-Fluoro-3-methoxybenzaldehyde 96%
2-Fluoro-3-methoxybenzaldehyde
2-氟-3-甲氧苯甲醛
2-氟-3-甲氧基苯甲醛
CAS Number
103438-88-6
MDL Number
MFCD03411962
PubChem SID
24881682
162081055
PubChem CID
3774463

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 14.457583 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
47-51 °C(lit.) expand Show data source
47-51°C expand Show data source
50-53°C expand Show data source
Boiling Point
114°C/15mm expand Show data source
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>110°C(230°F) expand Show data source
>230 °F expand Show data source
Storage Warning
Air Sensitive expand Show data source
Harmful/Irritant/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41-43 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H317-H318-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves 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 - 597260 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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