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624-64-6 molecular structure
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but-2-ene

ChemBase ID: 89026
Molecular Formular: C4H8
Molecular Mass: 56.10632
Monoisotopic Mass: 56.06260026
SMILES and InChIs

SMILES:
C/C=C/C
Canonical SMILES:
C/C=C/C
InChI:
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3
InChIKey:
IAQRGUVFOMOMEM-UHFFFAOYSA-N

Cite this record

CBID:89026 http://www.chembase.cn/molecule-89026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
but-2-ene
(2E)-but-2-ene
IUPAC Traditional name
2-butene
trans-2-butene
Synonyms
trans But-2-ene
(2E)-But-2-ene
But-2-ene
trans-2-Butene
反式-2-丁烯
CAS Number
624-64-6
107-01-7
EC Number
210-855-3
MDL Number
MFCD00064458
Beilstein Number
1718756
PubChem SID
24857756
162075912
PubChem CID
62695

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 62695 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8800789  LogD (pH = 7.4) 1.8800789 
Log P 1.8800789  Molar Refractivity 21.3228 cm3
Polarizability 7.912242 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)
Melting Point
-105 °C(lit.) expand Show data source
-105°C expand Show data source
-140°C expand Show data source
Boiling Point
1 °C(lit.) expand Show data source
1°C expand Show data source
Flash Point
-20 °C expand Show data source
-34°C expand Show data source
-4 °F expand Show data source
Auto Ignition Point
615 °F expand Show data source
Density
0.6 expand Show data source
Refractive Index
1.3848 expand Show data source
Vapor Pressure
2575 mmHg ( 37.7 °C) expand Show data source
Vapor Density
2 (vs air) expand Show data source
Storage Warning
Extremely Flammable expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
UN Number
1012 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 expand Show data source
Safety Statements
9-16-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS04 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
9.7 % expand Show data source
GHS Hazard statements
H220-H280 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 1012 2.1 expand Show data source
Purity
≥99% expand Show data source
Linear Formula
CH3CH=CHCH3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR4472 external link
Cylinder
Apollo Scientific Ltd - OR61316 external link
Mixture of E/Z isomers, Cylinder - 1/4" NPT connection
Sigma Aldrich - 295086 external link
Packaging
50, 200 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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