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18853

1,2-Butadiene

≥99.0% (GC)

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About This Item

Linear Formula:
CH2=C=CHCH3
CAS Number:
590-19-2
Molecular Weight:
54.09
EC Number:
209-674-2
UNSPSC Code:
12142100
PubChem Substance ID:
57647748
Beilstein/REAXYS Number:
1730808
MDL number:
MFCD00039911
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Quality Level

100

assay

≥99.0% (GC)

technique(s)

NMR: suitable (13C-NMR)

bp

10.8 °C (lit.)

SMILES string

CC=C=C

InChI

1S/C4H6/c1-3-4-2/h4H,1H2,2H3

InChI key

QNRMTGGDHLBXQZ-UHFFFAOYSA-N

Packaging

pressure tin

Other Notes

Sales restrictions may apply

pictograms

FlameGas cylinder
GHS02,GHS04

signalword

Danger

hcodes

H220,H280

Hazard Classifications

Flam. Gas 1A - Press. Gas Liquefied gas

Storage Class

2A - Gases

wgk

WGK 1

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
343733/1
435554/1

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Ralf I Kaiser et al.
The journal of physical chemistry. A, 118(32), 6181-6190 (2014-08-02)
The reactions of the 4-tolyl radical (C6H4CH3) and of the D7-4-tolyl radical (C6D4CD3) with 1,2-butadiene (C4H6) have been probed in crossed molecular beams under single collision conditions at a collision energy of about 54 kJ mol(-1) and studied theoretically using