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1121-60-4 molecular structure
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pyridine-2-carbaldehyde

ChemBase ID: 70239
Molecular Formular: C6H5NO
Molecular Mass: 107.11
Monoisotopic Mass: 107.03711379
SMILES and InChIs

SMILES:
c1(ccccn1)C=O
Canonical SMILES:
O=Cc1ccccn1
InChI:
InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
InChIKey:
CSDSSGBPEUDDEE-UHFFFAOYSA-N

Cite this record

CBID:70239 http://www.chembase.cn/molecule-70239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-2-carbaldehyde
IUPAC Traditional name
2-formylpyridine
Synonyms
2-Pyridinecarboxaldehyde
Pyridine-2-aldehyde
2-Pyridinecarboxaldehyde
picolinaldehyde
2-Pyridine carboxaldehyde
2-Pyridyl aldehyde
Picolinal
2-Formylpyridine
Pyridine-2-carboxaldehyde
Picolinaldehyde
2-Formylpyridine
Pyridine-2-carboxaldehyde 97%
PYRIDINE-2-ALDEHYDE
吡啶-2-甲醛
吡啶甲醛
2-吡啶甲醛
吡啶-2-甲醛
CAS Number
1121-60-4
EC Number
214-333-6
MDL Number
MFCD00006290
Beilstein Number
105341
PubChem SID
162035962
24898654
PubChem CID
14273
CHEMBL
274794
Chemspider ID
13635
Wikipedia Title
2-Formylpyridine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1383028  LogD (pH = 7.4) 1.1425642 
Log P 1.1426189  Molar Refractivity 30.0999 cm3
Polarizability 11.32814 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-21°C expand Show data source
-21°C expand Show data source
Boiling Point
179-181°C expand Show data source
180-181°C expand Show data source
181 °C(lit.) expand Show data source
181°C expand Show data source
Flash Point
163.4 °F expand Show data source
68°C(154°F) expand Show data source
73 °C expand Show data source
73°C expand Show data source
Density
1.124 expand Show data source
1.126 expand Show data source
1.126 g/mL expand Show data source
1.126 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.536 expand Show data source
1.5360 expand Show data source
n20/D 1.536(lit.) expand Show data source
Storage Warning
Air & Light Sensitive expand Show data source
IRRITANT expand Show data source
Toxic/Harmful/Irritant/Corrosive/Air Sensitive/Light Sensitive/Keep Cold/Store under Argon expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1989 expand Show data source
UN2810 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
22-23-36/37/38-43-52 expand Show data source
22-23-37/38-41-43-51/53 expand Show data source
Safety Statements
24-26-36/37/39-45-61 expand Show data source
26-36/37-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H317-H318-H330-H335 expand Show data source
H331-H302-H315-H317-H335-H318-H227-H401-H411 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P260-P280-P284-P305 + P351 + P338-P310 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
RID/ADR
UN 1989 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H5NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05218007 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - P62003 external link
Packaging
25, 100, 500 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Has been applied in a sequence for the oxidative deamination of amines to ketones, by reaction of the imines with mCPBA and cleavage of the resulting oxaziridines: J. Am. Chem. Soc., 97, 6900 (1975):
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PATENTS

PATENTS

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INTERNET

INTERNET

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