Home > Compound List > Compound details
141-30-0 molecular structure
click picture or here to close

3,6-dichloropyridazine

ChemBase ID: 64430
Molecular Formular: C4H2Cl2N2
Molecular Mass: 148.97808
Monoisotopic Mass: 147.95950343
SMILES and InChIs

SMILES:
n1nc(Cl)ccc1Cl
Canonical SMILES:
Clc1ccc(nn1)Cl
InChI:
InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey:
GUSWJGOYDXFJSI-UHFFFAOYSA-N

Cite this record

CBID:64430 http://www.chembase.cn/molecule-64430.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6-dichloropyridazine
IUPAC Traditional name
pyridazine, 3,6-dichloro-
Synonyms
3,6-Dichloro-1,2-diazine
3,6-Dichloropyridazine
3,6-Dichloropyridazine
3,6-二氯哒嗪
CAS Number
141-30-0
EC Number
205-478-6
MDL Number
MFCD00006466
Beilstein Number
111151
PubChem SID
24894123
162030169
PubChem CID
67331

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4242471  LogD (pH = 7.4) 1.4242471 
Log P 1.4242471  Molar Refractivity 35.4966 cm3
Polarizability 12.56423 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
65-69 °C(lit.) expand Show data source
66-70°C expand Show data source
66-70°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Irritant expand Show data source
RTECS
UR5886250 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
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
20/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
4-9-20-26-36/37-45-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H331-H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C4H2Cl2N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212958 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D73200 external link
Packaging
25, 100, 500 g in poly 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