B90203
Butylbenzene
≥99%
Synonym(s):
1-Phenylbutane
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About This Item
Linear Formula:
C6H5(CH2)3CH3
CAS Number:
Molecular Weight:
134.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-209-7
Beilstein/REAXYS Number:
1903395
MDL number:
Assay:
≥99%
Form:
liquid
vapor density
>1 (vs air)
Quality Segment
vapor pressure
1.03 mmHg ( 23 °C)
assay
≥99%
form
liquid
autoignition temp.
774 °F
expl. lim.
5.8 %
refractive index
n
bp
183 °C (lit.)
mp
−88 °C (lit.)
density
0.86 g/mL at 25 °C (lit.)
functional group
phenyl
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)
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.
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signalword
Warning
hcodes
pcodes
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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