2-chloro-5-methylthiophene

• ChemBase ID: 295725
• Molecular Formular: C5H5ClS
• Molecular Mass: 132.6112
• Monoisotopic Mass: 131.98004884
• SMILES: Cc1ccc(s1)Cl
• Canonical SMILES: Cc1ccc(s1)Cl
• InChI: InChI=1S/C5H5ClS/c1-4-2-3-5(6)7-4/h2-3H,1H3
• InChIKey: JSMMZMYGEVUURX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methylthiophene
• IUPAC Traditional name: 2-chloro-5-methylthiophene
• Synonyms: 2-Chloro-5-methylthiophene; 2-Chloro-5-Methylthiophene; 2-氯-5-甲基硫代苯

Database IDs

• CAS Number: 17249-82-0
• MDL Number: MFCD01632145
• PubChem SID: 180681256
• PubChem CID: 140208

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1695893
• LogD (pH = 7.4): 3.1695893
• Log P: 3.1695893
• Molar Refractivity: 32.1848 cm^3
• Polarizability: 12.686248 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155-156°C
• Flash Point: 47°C(117°F)
• Density: 1.21
• Refractive Index: 1.5356

Safety Information

• European Hazard Symbols: X
• UN Number: UN1992
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20/21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06
• GHS Hazard statements: H331-H302-H312-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P302+P352-P405-P501A

Product Information

• Purity: 97%