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62249-80-3 molecular structure
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(2S)-2-ethenyloxirane

ChemBase ID: 151669
Molecular Formular: C4H6O
Molecular Mass: 70.08984
Monoisotopic Mass: 70.04186481
SMILES and InChIs

SMILES:
C=C[C@H]1CO1
Canonical SMILES:
C=C[C@H]1CO1
InChI:
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m0/s1
InChIKey:
GXBYFVGCMPJVJX-BYPYZUCNSA-N

Cite this record

CBID:151669 http://www.chembase.cn/molecule-151669.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-ethenyloxirane
IUPAC Traditional name
(2S)-2-ethenyloxirane
Synonyms
(S)-3,4-Epoxy-1-butene
(S)-2-Vinyloxirane
(S)-3,4-环氧-1-丁烯
(S)-2-乙烯基环氧乙烷
CAS Number
62249-80-3
MDL Number
MFCD04040042
Beilstein Number
5238466
PubChem SID
162245819
24851612
PubChem CID
7568268

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
19377 external link Add to cart Please log in.
Data Source Data ID
PubChem 7568268 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7440414  LogD (pH = 7.4) 0.7440414 
Log P 0.7440414  Molar Refractivity 19.8764 cm3
Polarizability 7.817887 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)
Boiling Point
66 °C(lit.) expand Show data source
Flash Point
-50 °C expand Show data source
-58 °F expand Show data source
Density
0.870 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.417 expand Show data source
Optical Rotation
[α]20/D +20.0±1°, c = 1% in pentane(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 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 1993 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥90% (sum of enantiomers, GC) expand Show data source
Grade
technical expand Show data source
Empirical Formula (Hill Notation)
C4H6O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 19377 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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