Home > Compound List > Compound details
14161-11-6 molecular structure
click picture or here to close

3,4,5-trichloropyridazine

ChemBase ID: 68450
Molecular Formular: C4HCl3N2
Molecular Mass: 183.42314
Monoisotopic Mass: 181.92053108
SMILES and InChIs

SMILES:
c1(c(c(cnn1)Cl)Cl)Cl
Canonical SMILES:
Clc1c(Cl)cnnc1Cl
InChI:
InChI=1S/C4HCl3N2/c5-2-1-8-9-4(7)3(2)6/h1H
InChIKey:
GBAOOJAWDCNOGO-UHFFFAOYSA-N

Cite this record

CBID:68450 http://www.chembase.cn/molecule-68450.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4,5-trichloropyridazine
IUPAC Traditional name
3,4,5-trichloropyridazine
Synonyms
3,4,5-Trichloropyridazine
3,4,5-Trichloropyridazine
3,4,5-三氯哒嗪
CAS Number
14161-11-6
EC Number
238-006-2
MDL Number
MFCD00006464
Beilstein Number
127119
PubChem SID
162034181
PubChem CID
70111

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8081132  LogD (pH = 7.4) 1.8081146 
Log P 1.8081146  Molar Refractivity 39.2401 cm3
Polarizability 14.56917 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
54-61°C expand Show data source
Boiling Point
117-118°C/14mm expand Show data source
Storage Warning
Harmful/Irritant/Air Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
Risk Statements
22-36/38-43 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H317-H319 expand Show data source
GHS Precautionary statements
P280-P301 + P310-P305 + P351 + P338 expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C4HCl3N2 expand Show data source

DETAILS

DETAILS

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