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348-28-7 molecular structure
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4-fluoro-2-hydroxybenzaldehyde

ChemBase ID: 67400
Molecular Formular: C7H5FO2
Molecular Mass: 140.1118032
Monoisotopic Mass: 140.02735762
SMILES and InChIs

SMILES:
C(=O)c1c(O)cc(cc1)F
Canonical SMILES:
O=Cc1ccc(cc1O)F
InChI:
InChI=1S/C7H5FO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChIKey:
GBJJCODOZGPTBC-UHFFFAOYSA-N

Cite this record

CBID:67400 http://www.chembase.cn/molecule-67400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-2-hydroxybenzaldehyde
IUPAC Traditional name
4-fluoro-2-hydroxybenzaldehyde
Synonyms
4-Fluorosalicylaldehyde
4-Fluorosalicylaldehyde
4-Fluoro-2-hydroxybenzaldehyde 99%
4-Fluoro-2-hydroxybenzaldehyde
2-Hydroxy-4-fluorobenzaldehyde
4-Fluorosalicylaldehyde
4-氟水杨醛
CAS Number
348-28-7
MDL Number
MFCD03788526
PubChem SID
162033135
PubChem CID
2779268

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.4013  H Acceptors
H Donor LogD (pH = 5.5) 2.1695113 
LogD (pH = 7.4) 1.8779569  Log P 2.1748848 
Molar Refractivity 34.8393 cm3 Polarizability 12.571066 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
70-72°C expand Show data source
70-72°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Irritant/Air Sensitive/Store under inert gas expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download 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
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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