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100-69-6 molecular structure
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2-ethenylpyridine

ChemBase ID: 87541
Molecular Formular: C7H7N
Molecular Mass: 105.13718
Monoisotopic Mass: 105.05784923
SMILES and InChIs

SMILES:
n1c(cccc1)C=C
Canonical SMILES:
C=Cc1ccccn1
InChI:
InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2
InChIKey:
KGIGUEBEKRSTEW-UHFFFAOYSA-N

Cite this record

CBID:87541 http://www.chembase.cn/molecule-87541.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethenylpyridine
IUPAC Traditional name
2-vinylpyridine
Synonyms
2-Vinylpyridine
2VP
2-Vinylpyridine
2-乙烯基吡啶
2-乙烯吡啶
CAS Number
100-69-6
EC Number
202-879-8
MDL Number
MFCD00006355
Beilstein Number
104505
PubChem SID
162074581
24848047
PubChem CID
7521
Wikipedia Title
2-Vinylpyridine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6400613  LogD (pH = 7.4) 1.7247332 
Log P 1.7259365  Molar Refractivity 33.1403 cm3
Polarizability 12.9839735 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
27.5 g/L in water expand Show data source
Apperance
Brown, clear liquid expand Show data source
Melting Point
-50°C expand Show data source
-50°C expand Show data source
52 - 54°C expand Show data source
Boiling Point
158°C expand Show data source
159°C expand Show data source
79-82 °C/29 mmHg(lit.) expand Show data source
79-82°C/29mm expand Show data source
Flash Point
118.4 °F expand Show data source
46°C expand Show data source
47°C(117°F) expand Show data source
48 °C expand Show data source
48°C (118.4°F) expand Show data source
Density
.977 g/cm3 expand Show data source
0.974 expand Show data source
0.975 expand Show data source
0.975 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5500 expand Show data source
n20/D 1.549 expand Show data source
n20/D 1.549(lit.) expand Show data source
Vapor Pressure
10 mmHg ( 44.5 °C) expand Show data source
96 hPa (72 mmHg) at 100 °C expand Show data source
Hydrophobicity(logP)
1.369 expand Show data source
pKa
4.98 expand Show data source
Viscosity
1.17 mPas expand Show data source
Storage Warning
Toxic expand Show data source
RTECS
UU1040000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
3073 expand Show data source
UN3073 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
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-20-25-34-42/43 expand Show data source
10-21-23/25-34 expand Show data source
Safety Statements
16-23-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H301-H314-H317-H332 expand Show data source
H311-H330-H302-H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A expand Show data source
P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3073 6.1/PG 2 expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
97% expand Show data source
97%, stab. with 0.1% 4-tert-butylcatechol expand Show data source
Grade
technical expand Show data source
Contains
~0.1% 4-tert-butylcatechol as stabilizer expand Show data source
0.1 wt. % p-tert-butylcatechol as inhibitor expand Show data source
Empirical Formula (Hill Notation)
C7H7N expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR3144 external link
Inhibited with 0.1% 4-tert-Butylcatechol
Sigma Aldrich - 132292 external link
Application
Vinylation of silacyclobutanes with Ni-catalysis leading to geometrically pure (E)-silylolefins.1
Packaging
5, 100, 500 mL in glass bottle
Sigma Aldrich - 95040 external link
Other Notes
Reagent for pyridylethylation - a new protection method for active hydrogen compounds1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reacts with chlorocarbenes, generated photochemically, thermally or with ultrasound to give indolizines in one step: J. Chem. Soc., Chem. Commun., 509 (1994); e.g., chlorophenylcarbene, generated thermally from 3-chloro-3-phenyldiazirine:
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PATENTS

PATENTS

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INTERNET

INTERNET

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