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3481-02-5 molecular structure
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cyclopropyl(phenyl)methanone

ChemBase ID: 106868
Molecular Formular: C10H10O
Molecular Mass: 146.1858
Monoisotopic Mass: 146.07316494
SMILES and InChIs

SMILES:
O=C(C1CC1)c1ccccc1
Canonical SMILES:
O=C(c1ccccc1)C1CC1
InChI:
InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey:
PJRHFTYXYCVOSJ-UHFFFAOYSA-N

Cite this record

CBID:106868 http://www.chembase.cn/molecule-106868.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopropyl(phenyl)methanone
IUPAC Traditional name
cyclopropyl phenyl ketone
Synonyms
CYCLOPROPYL PHENYL KETONE
cyclopropyl(phenyl)methanone
Benzoylcyclopropane
Cyclopropyl phenyl ketone
苯甲酰环丙烷
环丙基苯基酮
CAS Number
3481-02-5
EC Number
222-458-2
MDL Number
MFCD00001294
Beilstein Number
1860145
PubChem SID
24847671
162092947
PubChem CID
77029

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.860415  H Acceptors
H Donor LogD (pH = 5.5) 2.3106894 
LogD (pH = 7.4) 2.3106894  Log P 2.3106894 
Molar Refractivity 43.86 cm3 Polarizability 17.026579 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
7-9 °C(lit.) expand Show data source
Boiling Point
121-123 °C/15 mmHg(lit.) expand Show data source
248°C expand Show data source
Flash Point
194 °F expand Show data source
90 °C expand Show data source
90°C(194°F) expand Show data source
Density
1.058 g/mL at 25 °C(lit.) expand Show data source
1.06 expand Show data source
Refractive Index
1.5534 expand Show data source
n20/D 1.553(lit.) expand Show data source
Vapor Density
5 (vs air) 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
TSCA Listed
expand Show data source
GHS Hazard statements
H227 expand Show data source
GHS Precautionary statements
P210-P280-P370+P378A-P403+P235-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5COC3H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201687 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 125512 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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