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3739-94-4 molecular structure
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pyridine-2,6-dicarbonyl dichloride

ChemBase ID: 150978
Molecular Formular: C7H3Cl2NO2
Molecular Mass: 204.01022
Monoisotopic Mass: 202.9540837
SMILES and InChIs

SMILES:
c1cc(nc(c1)C(=O)Cl)C(=O)Cl
Canonical SMILES:
ClC(=O)c1cccc(n1)C(=O)Cl
InChI:
InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H
InChIKey:
GWHOGODUVLQCEB-UHFFFAOYSA-N

Cite this record

CBID:150978 http://www.chembase.cn/molecule-150978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-2,6-dicarbonyl dichloride
IUPAC Traditional name
pyridine-2,6-dicarbonyl dichloride
Synonyms
2,6-Pyridinedicarbonyl chloride
Pyridine-2,6-dicarboxylic acid chloride
2,6-Pyridinedicarbonyl dichloride
Pyridine-2,6-dicarbonyl dichloride
2,6-Pyridinedicarbonyl chloride
2,6-吡啶二羰酰氯
2,6-氯甲酰吡啶
2,6-吡啶二甲酰氯
吡啶-2,6-二甲酰氯
2,6-吡啶二羰酰氯
CAS Number
3739-94-4
EC Number
223-125-4
MDL Number
MFCD00006289
Beilstein Number
131556
PubChem SID
24888044
162245137
24848540
PubChem CID
77335

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 77335 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9090991  LogD (pH = 7.4) 1.9090991 
Log P 1.9090991  Molar Refractivity 45.3865 cm3
Polarizability 17.135336 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
56-58 °C(lit.) expand Show data source
56-60 °C expand Show data source
57-61°C expand Show data source
Boiling Point
284 °C(lit.) expand Show data source
284°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN3261 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
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
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% (T) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Empirical Formula (Hill Notation)
C7H3Cl2NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 142875 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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