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1121-37-5 molecular structure
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dicyclopropylmethanone

ChemBase ID: 81466
Molecular Formular: C7H10O
Molecular Mass: 110.1537
Monoisotopic Mass: 110.07316494
SMILES and InChIs

SMILES:
O=C(C1CC1)C1CC1
Canonical SMILES:
O=C(C1CC1)C1CC1
InChI:
InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2
InChIKey:
BIPUHAHGLJKIPK-UHFFFAOYSA-N

Cite this record

CBID:81466 http://www.chembase.cn/molecule-81466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicyclopropylmethanone
IUPAC Traditional name
methanone, dicyclopropyl-
Synonyms
Dicyclopropylketone
Dicyclopropylmethanone 96%
Dicyclopropyl ketone
DICYCLOPROPYL KETONE
双环丙基酮
二环丙基甲酮
CAS Number
1121-37-5
EC Number
214-331-5
MDL Number
MFCD00001276
Beilstein Number
774172
PubChem SID
162068585
24862402
24847696
PubChem CID
70721

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6658722  LogD (pH = 7.4) 1.6658722 
Log P 1.6658722  Molar Refractivity 30.9932 cm3
Polarizability 12.236553 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)
Boiling Point
160-162 °C(lit.) expand Show data source
160-162°C expand Show data source
160-162°C expand Show data source
Flash Point
102.2 °F expand Show data source
39 °C expand Show data source
39°C expand Show data source
39°C(102°F) expand Show data source
Density
0.968 expand Show data source
0.977 expand Show data source
0.977 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.467 expand Show data source
1.4670 expand Show data source
n20/D 1.467(lit.) expand Show data source
n20/D 1.469 expand Show data source
Storage Warning
Harmful/Flammable expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1224 expand Show data source
UN1224 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
10-22-37/38-41 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
16 expand Show data source
26-36/37/39 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
H301-H315-H335-H318-H226 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1224 3/PG 3 expand Show data source
Purity
≥90% (GC) expand Show data source
95% expand Show data source
96% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C3H5)2CO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05212196 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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