Home > Compound List > Compound details
58584-83-1 molecular structure
click picture or here to close

2,6-dichloropyridine-3-carbonyl chloride

ChemBase ID: 141174
Molecular Formular: C6H2Cl3NO
Molecular Mass: 210.44518
Monoisotopic Mass: 208.92019673
SMILES and InChIs

SMILES:
c1cc(nc(c1C(=O)Cl)Cl)Cl
Canonical SMILES:
Clc1ccc(c(n1)Cl)C(=O)Cl
InChI:
InChI=1S/C6H2Cl3NO/c7-4-2-1-3(6(9)11)5(8)10-4/h1-2H
InChIKey:
JHMHYTKDALCQSZ-UHFFFAOYSA-N

Cite this record

CBID:141174 http://www.chembase.cn/molecule-141174.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloropyridine-3-carbonyl chloride
IUPAC Traditional name
2,6-dichloropyridine-3-carbonyl chloride
Synonyms
2,6-Dichloronicotinoyl chloride
2,6-Dichloropyridine-3-carbonyl chloride
2,6-二氯烟酰氯
2,6-二氯吡啶-3-羰酰氯
CAS Number
58584-83-1
MDL Number
MFCD11656165
PubChem SID
162235409
PubChem CID
12263984

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
699276 external link Add to cart Please log in.
Data Source Data ID
PubChem 12263984 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5949297  LogD (pH = 7.4) 2.5949297 
Log P 2.5949297  Molar Refractivity 46.748 cm3
Polarizability 17.28345 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
24-30 °C expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
96% expand Show data source
Empirical Formula (Hill Notation)
C6H2Cl3NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 699276 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle