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69045-83-6 molecular structure
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2,3-dichloro-5-(trichloromethyl)pyridine

ChemBase ID: 136749
Molecular Formular: C6H2Cl5N
Molecular Mass: 265.35178
Monoisotopic Mass: 262.86298747
SMILES and InChIs

SMILES:
c1c(cnc(c1Cl)Cl)C(Cl)(Cl)Cl
Canonical SMILES:
Clc1ncc(cc1Cl)C(Cl)(Cl)Cl
InChI:
InChI=1S/C6H2Cl5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey:
XVBWGQSXLITICX-UHFFFAOYSA-N

Cite this record

CBID:136749 http://www.chembase.cn/molecule-136749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloro-5-(trichloromethyl)pyridine
IUPAC Traditional name
2,3-dichloro-5-(trichloromethyl)pyridine
Synonyms
2,3-Dichloro-5-(trichloromethyl)pyridine
2,3-Dichloro-5-(trichloromethyl)pyridine
2,3-二氯-5-(三氯甲基)吡啶
CAS Number
69045-83-6
MDL Number
MFCD03701543
PubChem SID
162231019
24879838
PubChem CID
94647

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 94647 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6817482  LogD (pH = 7.4) 3.6817482 
Log P 3.6817482  Molar Refractivity 55.0501 cm3
Polarizability 20.950895 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
278-279 °C(lit.) expand Show data source
Flash Point
149 °F expand Show data source
65 °C expand Show data source
Density
1.636 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.5900(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C6H2Cl5N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 560022 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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