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B90203

Sigma-Aldrich

Butylbenzene

≥99%

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

vapor density

>1 (vs air)

Quality Level

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.)

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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This Item
8.2023919600B90408
Butylbenzene ≥99%

Sigma-Aldrich

B90203

Butylbenzene

Butylbenzene for synthesis

Sigma-Aldrich

8.20239

Butylbenzene

Butylbenzene analytical standard

Supelco

19600

Butylbenzene

sec-Butylbenzene ≥99%

Sigma-Aldrich

B90408

sec-Butylbenzene

form

liquid

form

liquid

form

-

form

liquid

refractive index

n20/D 1.489 (lit.)

refractive index

-

refractive index

n20/D 1.489 (lit.), n20/D 1.490

refractive index

n20/D 1.489 (lit.)

bp

183 °C (lit.)

bp

183 °C/1013 hPa

bp

183 °C (lit.)

bp

173-174 °C (lit.)

mp

−88 °C (lit.)

mp

-88 °C

mp

−88 °C (lit.)

mp

−75.5 °C (lit.)

density

0.86 g/mL at 25 °C (lit.)

density

0.86 g/cm3 at 20 °C

density

0.86 g/mL at 25 °C (lit.)

density

0.863 g/mL at 25 °C (lit.)

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

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

138.2 °F - closed cup

Flash Point(C)

59.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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