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Merck

B90203

Butylbenzene

≥99%

Synonym(s):

1-Phenylbutane

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About This Item

Linear Formula:
C6H5(CH2)3CH3
CAS Number:
104-51-8
Molecular Weight:
134.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892115
EC Number:
203-209-7
Beilstein/REAXYS Number:
1903395
MDL number:
MFCD00009463

Product Name

Butylbenzene, ≥99%

InChI key

OCKPCBLVNKHBMX-UHFFFAOYSA-N

InChI

1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

SMILES string

CCCCc1ccccc1

vapor density

>1 (vs air)

vapor pressure

1.03 mmHg ( 23 °C)

assay

≥99%

form

liquid

autoignition temp.

774 °F

expl. lim.

5.8 %

refractive index

n20/D 1.489 (lit.)

bp

183 °C (lit.)

mp

−88 °C (lit.)

density

0.86 g/mL at 25 °C (lit.)

Quality Level

100

Gene Information

human ... CYP1A2(1544)

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Application

Butylbenzene undergoes oxidation to afford butyrophenone. It is used to prepare N-arylazoles via oxidant-free and selective C(sp2)-H amination reaction. It can be used in the synthesis of alkylated pentacene and ladder-type oligo(p-phenylene)s to improve solubility in common organic solvents.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

138.2 °F - closed cup

flash_point_c

59.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX8953
BCBN3137V
BCBG6876V
BCBC0997
09418JJ

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Dirhodium (II) Complexes of 2?(Sulfonylimino) pyrrolidine: Synthesis and Application in Catalytic Benzylic Oxidation.
Wusiman A, et al.
European Journal of Organic Chemistry, 2012(16), 3088-3092 (2012)
Ladder-type oligo (p-phenylene) s with D???A architectures: design, synthesis, optical gain properties, and stabilized amplified spontaneous emission.
Fang M, et al.
Journal of Material Chemistry C, 5(23), 5797-5809 (2017)
Study on liquid crystallinity in 2, 9?dialkylpentacenes.
Okamoto K , et al.
Liq. Cryst., 34(9), 1001-1007 (2007)
Photo-induced oxidant-free oxidative C?H/N?H cross-coupling between arenes and azoles.
Niu L, et al.
Nature Communications, 8, 14226-14226 (2017)
A New Method for the Benzylic Oxidation of Alkylarenes Catalyzed by Hypervalent Iodine (III).
Xu Y, et al.
Synthesis, 45(03), 370-374 (2013)
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