2-chloro-4-methylquinoline

• ChemBase ID: 110493
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: Cc1c2ccccc2nc(Cl)c1
• Canonical SMILES: Clc1cc(C)c2c(n1)cccc2
• InChI: InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
• InChIKey: PFEIMKNQOIFKSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methylquinoline
• IUPAC Traditional name: 2-chloro-4-methylquinoline
• Synonyms: 2-Chloro-4-methylquinoline; 2-Chlorolepidine; 2-Chloro-4-methylquinoline; 2-Chlorolepidine; 2-CHLOROLEPIDINE; 2-chloro-4-methylquinoline; 2-氯-4-甲基喹啉; 4-甲基-2-氯-喹啉; 2-氯-4-甲基喹啉; 4-甲基-2-氯-喹啉

Database IDs

• CAS Number: 634-47-9
• EC Number: 211-209-3
• MDL Number: MFCD00006742
• Beilstein Number: 118333
• PubChem SID: 162095975; 24855000; 24892734
• PubChem CID: 69449

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.468512
• LogD (pH = 7.4): 3.4685433
• Log P: 3.4685438
• Molar Refractivity: 50.8866 cm^3
• Polarizability: 20.659557 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-56°C; 55-58 °C; 55-58 °C(lit.)
• Boiling Point: 296 °C(lit.); 296°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: ≥99.0% (GC); 98%; 99%
• Grade: puriss.
• Empirical Formula (Hill Notation): C10H8ClN

DETAILS

MP Biomedicals - 05215250

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C48805

Packaging
5, 25 g in glass bottle