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109-09-1 molecular structure
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2,3-dichloropyridine

ChemBase ID: 13695
Molecular Formular: C5H3Cl2N
Molecular Mass: 147.99002
Monoisotopic Mass: 146.96425446
SMILES and InChIs

SMILES:
c1cnc(c(c1)Cl)Cl
Canonical SMILES:
Clc1ncccc1Cl
InChI:
InChI=1S/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey:
MAKFMOSBBNKPMS-UHFFFAOYSA-N

Cite this record

CBID:13695 http://www.chembase.cn/molecule-13695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloropyridine
IUPAC Traditional name
2,3-dichloropyridine
Synonyms
2,3-Dichloropyridine
2,3-Dichloropyridine
2,3-Dichloro-pyridine
2,3-二氯吡啶
CAS Number
109-09-1
2402-77-9
EC Number
219-281-8
MDL Number
MFCD00006229
Beilstein Number
109811
PubChem SID
160977002
24894124
PubChem CID
16988

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1838393  LogD (pH = 7.4) 2.1838398 
Log P 2.18384  Molar Refractivity 34.572 cm3
Polarizability 13.331104 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)
Melting Point
64-67 °C(lit.) expand Show data source
64-69°C expand Show data source
65 - 67°C expand Show data source
65-67°C expand Show data source
65-69°C expand Show data source
Hydrophobicity(logP)
2.064 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
RTECS
US8050000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN2811 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
III expand Show data source
Risk Statements
21/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H311-H302-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-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, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C5H3Cl2N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D73405 external link
Packaging
10 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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