Home > Compound List > Compound details
6640-25-1 molecular structure
click picture or here to close

(4-chlorophenyl)(cyclopropyl)methanone

ChemBase ID: 151307
Molecular Formular: C10H9ClO
Molecular Mass: 180.63086
Monoisotopic Mass: 180.03419259
SMILES and InChIs

SMILES:
c1cc(ccc1C(=O)C1CC1)Cl
Canonical SMILES:
O=C(c1ccc(cc1)Cl)C1CC1
InChI:
InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
InChIKey:
OPSFCTBBDIDFJM-UHFFFAOYSA-N

Cite this record

CBID:151307 http://www.chembase.cn/molecule-151307.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chlorophenyl)(cyclopropyl)methanone
IUPAC Traditional name
(4-chlorophenyl)(cyclopropyl)methanone
Synonyms
4-Chlorophenyl cyclopropyl ketone
(4-Chlorobenzoyl)cyclopropane
4-氯苯基环丙基酮
4-氯苯基环丙基甲酮
CAS Number
6640-25-1
EC Number
229-655-2
MDL Number
MFCD00001295
Beilstein Number
2044845
PubChem SID
162245463
24892864
PubChem CID
81148

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 81148 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.81723  H Acceptors
H Donor LogD (pH = 5.5) 2.9147341 
LogD (pH = 7.4) 2.9147341  Log P 2.9147341 
Molar Refractivity 48.6648 cm3 Polarizability 18.883772 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
29-31 °C(lit.) expand Show data source
29-31°C expand Show data source
Boiling Point
135-137°C/10mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
1.160 expand Show data source
Refractive Index
1.5718 expand Show data source
n20/D 1.5718(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Linear Formula
ClC6H4COC3H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C64207 external link
Packaging
25 g 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