B90203

Sigma-Aldrich

Butylbenzene

≥99%

Synonym(s):
1-Phenylbutane
Linear Formula:
C6H5(CH2)3CH3
CAS Number:
Molecular Weight:
134.22
Beilstein/REAXYS Number:
1903395
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

vapor density

>1 (vs air)

vapor pressure

1.03 mmHg ( 23 °C)

assay

≥99%

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.)

SMILES string

CCCCc1ccccc1

InChI

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

InChI key

OCKPCBLVNKHBMX-UHFFFAOYSA-N

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.

Packaging

25, 100, 500 mL in glass bottle

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Precautionary Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2709 3 / PGIII

WGK Germany

WGK 3

Flash Point(F)

138.2 °F - closed cup

Flash Point(C)

59.0 °C - closed cup

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)
A New Method for the Benzylic Oxidation of Alkylarenes Catalyzed by Hypervalent Iodine (III).
Xu Y, et al.
Synthesis, 45(03), 370-374 (2013)
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)

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