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6142-73-0 molecular structure
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methylidenecyclopropane

ChemBase ID: 139255
Molecular Formular: C4H6
Molecular Mass: 54.09044
Monoisotopic Mass: 54.04695019
SMILES and InChIs

SMILES:
C=C1CC1
Canonical SMILES:
C=C1CC1
InChI:
InChI=1S/C4H6/c1-4-2-3-4/h1-3H2
InChIKey:
XSGHLZBESSREDT-UHFFFAOYSA-N

Cite this record

CBID:139255 http://www.chembase.cn/molecule-139255.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methylidenecyclopropane
IUPAC Traditional name
methylenecyclopropene
Synonyms
Methylenecyclopropane
亚甲基环丙烷
CAS Number
6142-73-0
EC Number
228-142-0
MDL Number
MFCD00042620
Beilstein Number
741861
PubChem SID
162233503
24884931
PubChem CID
80245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
66765 external link Add to cart Please log in.
Data Source Data ID
PubChem 80245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2730793  LogD (pH = 7.4) 1.2730793 
Log P 1.2730793  Molar Refractivity 18.1291 cm3
Polarizability 7.1599445 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
9-12 °C expand Show data source
Flash Point
<-14 °C expand Show data source
<6.8 °F expand Show data source
Density
0.80 g/mL at 20 °C(lit.) expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2037 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
2.1 expand Show data source
Risk Statements
12-22 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS04 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H280-H302 expand Show data source
GHS Precautionary statements
P210-P410 + P403 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2037 2.1 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95.0% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C4H6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 66765 external link
Other Notes
Sales restrictions may apply

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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