B90203

Butylbenzene

≥99%

• Synonym(s): 1-Phenylbutane
• 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
• Assay: ≥99%
• Form: liquid

Properties

• vapor density: >1 (vs air)
• Quality Segment: 100
• 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.)
• 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)

Description

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.

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P370 + P378
• 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