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210-624-7 molecular structure
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4-methoxypyridine

ChemBase ID: 70372
Molecular Formular: C6H7NO
Molecular Mass: 109.12588
Monoisotopic Mass: 109.05276385
SMILES and InChIs

SMILES:
c1cc(ccn1)OC
Canonical SMILES:
COc1ccncc1
InChI:
InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey:
XQABVLBGNWBWIV-UHFFFAOYSA-N

Cite this record

CBID:70372 http://www.chembase.cn/molecule-70372.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxypyridine
IUPAC Traditional name
4-methoxypyridine
Synonyms
4-Methoxypyridine
4-Methoxypyridine
4-甲氧基吡啶
CAS Number
210-624-7
620-08-6
EC Number
210-624-7
MDL Number
MFCD00674049
Beilstein Number
108211
PubChem SID
24869720
162036092
PubChem CID
69278

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1441437  LogD (pH = 7.4) 0.5496997 
Log P 0.5979021  Molar Refractivity 30.3643 cm3
Polarizability 11.942049 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
colorless to light yellow liquid expand Show data source
Melting Point
4 - 6°C expand Show data source
4°C expand Show data source
4°C expand Show data source
Boiling Point
108-111 °C/65 mmHg(lit.) expand Show data source
191°C expand Show data source
191°C expand Show data source
Flash Point
165.2 °F expand Show data source
74 °C expand Show data source
74°C expand Show data source
74°C(165°F) expand Show data source
Density
1.075 expand Show data source
1.075 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5210 expand Show data source
n20/D 1.516(lit.) expand Show data source
Hydrophobicity(logP)
1.065 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/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
26-36/37/39 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
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C6H7NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 460621 external link
Application
Used in an efficient construction of dihyropyridin-4-ones potential ligands for neuronal nicotinic acetycholine receptors.1
Packaging
5, 25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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