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2457-47-8 molecular structure
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3,5-dichloropyridine

ChemBase ID: 69399
Molecular Formular: C5H3Cl2N
Molecular Mass: 147.99002
Monoisotopic Mass: 146.96425446
SMILES and InChIs

SMILES:
c1c(cc(cn1)Cl)Cl
Canonical SMILES:
Clc1cncc(c1)Cl
InChI:
InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey:
WPGHPGAUFIJVJF-UHFFFAOYSA-N

Cite this record

CBID:69399 http://www.chembase.cn/molecule-69399.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dichloropyridine
IUPAC Traditional name
3,5-dichloropyridine
Synonyms
NSC 60546
3,5-Dichloropyridine 98%
3,5-Dichloropyridine
3,5-Dichloropyridine
3,5-二氯吡啶
CAS Number
2457-47-8
EC Number
219-537-9
MDL Number
MFCD00006376
Beilstein Number
1973
PubChem SID
162035125
24894126
PubChem CID
17153

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9636263  LogD (pH = 7.4) 1.9636623 
Log P 1.9636627  Molar Refractivity 33.5107 cm3
Polarizability 13.2627125 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
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
White to Off-White Low Melting Solid expand Show data source
Melting Point
55-57°C expand Show data source
63-67°C expand Show data source
65-67 °C(lit.) expand Show data source
65-67°C expand Show data source
Boiling Point
178°C expand Show data source
Flash Point
74°C(165°F) expand Show data source
Density
1.39 expand Show data source
Hydrophobicity(logP)
2.163 expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
RTECS
US8575000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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
III expand Show data source
Risk Statements
21/22-36/37/38 expand Show data source
22-37/38-41 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-39 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
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
H311-H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338-P302+P352-P309+P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C5H3Cl2N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214965 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D73804 external link
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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