2-butylthiophene

• ChemBase ID: 87134
• Molecular Formular: C8H12S
• Molecular Mass: 140.24588
• Monoisotopic Mass: 140.06597138
• SMILES: s1c(ccc1)CCCC
• Canonical SMILES: CCCCc1cccs1
• InChI: InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
• InChIKey: MNDZHERKKXUTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butylthiophene
• IUPAC Traditional name: thiophene, 2-butyl-
• Synonyms: 2-butylthiophene; 2-N-BUTYLTHIOPHENE; 2-n-Butylthiophene; 2-正丁基噻吩

Database IDs

• CAS Number: 1455-20-5
• EC Number: 215-935-1
• MDL Number: MFCD00022534
• Beilstein Number: 107046
• PubChem SID: 162074250
• PubChem CID: 73818

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7332547
• LogD (pH = 7.4): 3.7332547
• Log P: 3.7332547
• Molar Refractivity: 41.9461 cm^3
• Polarizability: 16.26428 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 181-182°C; 181-182°C
• Flash Point: 35°C; 56°C(133°F)
• Density: 0.953; 0.97
• Refractive Index: 1.5020

Safety Information

• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 98+%

DETAILS

MP Biomedicals - 05201994

MP Biomedicals Rare Chemical collection