Home > Compound List > Compound details
4620-67-1 molecular structure
click picture or here to close

1-phenylcyclobutane-1-carbonyl chloride

ChemBase ID: 78423
Molecular Formular: C11H11ClO
Molecular Mass: 194.65744
Monoisotopic Mass: 194.04984265
SMILES and InChIs

SMILES:
ClC(=O)C1(c2ccccc2)CCC1
Canonical SMILES:
ClC(=O)C1(CCC1)c1ccccc1
InChI:
InChI=1S/C11H11ClO/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey:
SVSUIHVKXBTVBI-UHFFFAOYSA-N

Cite this record

CBID:78423 http://www.chembase.cn/molecule-78423.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenylcyclobutane-1-carbonyl chloride
IUPAC Traditional name
1-phenylcyclobutane-1-carbonyl chloride
Synonyms
1-Phenylcyclobutanecarbonyl chloride
1-(Chlorocarbonyl)-1-phenylcyclobutane
1-Phenylcyclobutane-1-carbonyl chloride
CAS Number
4620-67-1
MDL Number
MFCD09903688
PubChem SID
162043190
PubChem CID
23294892

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23294892 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.224167  LogD (pH = 7.4) 3.224167 
Log P 3.224167  Molar Refractivity 53.0984 cm3
Polarizability 20.73012 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
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
Purity
97% 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