Home > Compound List > Compound details
626-60-8 molecular structure
click picture or here to close

3-chloropyridine

ChemBase ID: 90071
Molecular Formular: C5H4ClN
Molecular Mass: 113.54496
Monoisotopic Mass: 113.00322681
SMILES and InChIs

SMILES:
n1cc(ccc1)Cl
Canonical SMILES:
Clc1cccnc1
InChI:
InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey:
PWRBCZZQRRPXAB-UHFFFAOYSA-N

Cite this record

CBID:90071 http://www.chembase.cn/molecule-90071.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloropyridine
IUPAC Traditional name
3-chloropyridine
Synonyms
3-Chloropyridine
3-Chloropyridine
3-氯吡啶
CAS Number
626-60-8
EC Number
210-955-7
MDL Number
MFCD00006375
Beilstein Number
105744
PubChem SID
24892918
162076926
PubChem CID
12287

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.357117  LogD (pH = 7.4) 1.3595865 
Log P 1.3596181  Molar Refractivity 28.7059 cm3
Polarizability 11.315393 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)
Boiling Point
147-149°C expand Show data source
147-149°C expand Show data source
148 °C(lit.) expand Show data source
Flash Point
150.8 °F expand Show data source
53°C expand Show data source
53°C(127°F) expand Show data source
66 °C expand Show data source
Density
1.194 g/mL at 25 °C(lit.) expand Show data source
1.205 expand Show data source
Refractive Index
1.533 expand Show data source
1.5330 expand Show data source
n20/D 1.533(lit.) expand Show data source
Storage Warning
Flammable/Corrosive/Harmful/Store under Argon expand Show data source
RTECS
US6125000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2924 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
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-22-34 expand Show data source
20/21/22 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
36/37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
H314-H318-H226-H302 expand Show data source
GHS Precautionary statements
P280 expand Show data source
P280-P303+P361+P353-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
Purity
99% expand Show data source
Grade
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H4ClN expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05205641 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C70002 external link
Packaging
25, 50 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • With n-BuLi and TMEDA at -60 o, lithiation occurs predominantly at the 2-position, with some 4-lithiation: Tetrahedron, 39, 2009 (1983). With LDA at -60 o, exclusive 4-lithiation occurs: J. Org. Chem., 47, 2633 (1982); Heterocycles, 35, 151 (1993).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle