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6552-57-4 molecular structure
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(2H4)oxirane

ChemBase ID: 138665
Molecular Formular: C2H4O
Molecular Mass: 44.05256
Monoisotopic Mass: 44.02621475
SMILES and InChIs

SMILES:
C1CO1
Canonical SMILES:
O1CC1
InChI:
InChI=1S/C2H4O/c1-2-3-1/h1-2H2
InChIKey:
IAYPIBMASNFSPL-UHFFFAOYSA-N

Cite this record

CBID:138665 http://www.chembase.cn/molecule-138665.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H4)oxirane
IUPAC Traditional name
(2H4)oxirane
Synonyms
Ethylene-d4 oxide
氧化乙烯-d4
CAS Number
6552-57-4
MDL Number
MFCD00144292
PubChem SID
24869399
162232916
PubChem CID
138762

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
457833 external link Add to cart Please log in.
Data Source Data ID
PubChem 138762 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.04697551  LogD (pH = 7.4) -0.04697551 
Log P -0.04697551  Molar Refractivity 11.0435 cm3
Polarizability 4.3929925 Å3 Polar Surface Area 12.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-111 °C(lit.) expand Show data source
Boiling Point
10.7 °C(lit.) expand Show data source
Flash Point
-20 °C expand Show data source
-4 °F expand Show data source
Density
0.896 g/mL at 25 °C expand Show data source
Vapor Density
1.52 (vs air) expand Show data source
Mass Shift
M+4 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
UN Number
1040 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
2.3 expand Show data source
Risk Statements
12 expand Show data source
Safety Statements
16 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H319-H331-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338-P311 expand Show data source
RID/ADR
UN 1040 2.3 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Contains
hydroquinone as stabilizer expand Show data source
Mol. Weight
mol wt 48.04 by atom % calculation expand Show data source
Empirical Formula (Hill Notation)
C2D4O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 457833 external link
Packaging
5 g in steel cylinder
Lecture bottle with SS CGA 110/180 valve
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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