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71255-09-9 molecular structure
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2-methoxypyridine-3-carbaldehyde

ChemBase ID: 23702
Molecular Formular: C7H7NO2
Molecular Mass: 137.13598
Monoisotopic Mass: 137.04767847
SMILES and InChIs

SMILES:
c1cnc(c(c1)C=O)OC
Canonical SMILES:
COc1ncccc1C=O
InChI:
InChI=1S/C7H7NO2/c1-10-7-6(5-9)3-2-4-8-7/h2-5H,1H3
InChIKey:
PIFFMIDNNWOQLK-UHFFFAOYSA-N

Cite this record

CBID:23702 http://www.chembase.cn/molecule-23702.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxypyridine-3-carbaldehyde
IUPAC Traditional name
2-methoxypyridine-3-carbaldehyde
Synonyms
2-Methoxynicotinaldehyde
2-Methoxypyridine-3-carboxaldehyde
2-Methoxypyridine-3-carbaldehyde
2-methoxynicotinaldehyde
2-Methoxy-pyridine-3-carbaldehyde
2-Methoxy-3-pyridinecarboxaldehyde
2-甲氧基吡啶-3-甲醛
2-甲氧基-3-吡啶醛
CAS Number
71255-09-9
MDL Number
MFCD04115112
PubChem SID
24882481
160987009
PubChem CID
12533391

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9047474  LogD (pH = 7.4) 0.90486056 
Log P 0.904862  Molar Refractivity 37.2618 cm3
Polarizability 13.864085 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
200-201 °C(lit.) expand Show data source
Flash Point
204.8 °F expand Show data source
96 °C expand Show data source
Density
1.161 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.5500(lit.) expand Show data source
Storage Warning
Air Sensitive 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
41-43 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
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H317-H318 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
96% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C7H7NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 632139 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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