Home > Compound List > Compound details
3296-05-7 molecular structure
click picture or here to close

1-azido-4-chlorobenzene

ChemBase ID: 143250
Molecular Formular: C6H4ClN3
Molecular Mass: 153.56906
Monoisotopic Mass: 153.00937482
SMILES and InChIs

SMILES:
c1cc(ccc1N=[N+]=[N-])Cl
Canonical SMILES:
Clc1ccc(cc1)N=[N+]=[N-]
InChI:
InChI=1S/C6H4ClN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
InChIKey:
HZVGOEUGZJFTNN-UHFFFAOYSA-N

Cite this record

CBID:143250 http://www.chembase.cn/molecule-143250.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-azido-4-chlorobenzene
IUPAC Traditional name
1-azido-4-chlorobenzene
Synonyms
1-azido-4-chlorobenzene
4-Chlorophenyl azide solution
1-Azido-4-chlorobenzene solution
4-氯苯基叠氮化物 溶液
1-叠氮-4-氯苯 溶液
CAS Number
3296-05-7
MDL Number
MFCD00869580
Beilstein Number
1210408
PubChem SID
162237471
PubChem CID
76803

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76803 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8836145  LogD (pH = 7.4) 2.8836145 
Log P 2.9976602  Molar Refractivity 41.1504 cm3
Polarizability 14.45916 Å3 Polar Surface Area 29.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
-22 °F expand Show data source
-30 °C expand Show data source
Hydrophobicity(logP)
3.522 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
11-22-38-43 expand Show data source
Safety Statements
16-36/37 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H315 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
95% expand Show data source
Concentration
~0.5 M in tert-butyl methyl ether expand Show data source
Impurities
≤2.0% water expand Show data source
Empirical Formula (Hill Notation)
C6H4ClN3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 727482 external link
Packaging
10, 50 mL 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