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CAS Number: 1128-61-6
6-fluoro-2-methylquinoline

Structure

 6-fluoro-2-methylquinoline
Name: 6-fluoro-2-methylquinoline
Synonyms:
General Information
Product Number: 1128616
CAS Registry Number: 1128-61-6
Name:
        Quinoline, 6-​fluoro-​2-​methyl-
        Quinaldine, 6-​fluoro- (7CI,​8CI); 2-​Methyl-​6-​fluoroquinoline; 6-​Fluoro-​2-​methylquinoline; 6-​Fluoroquinaldine 
 
Chemical Formula: C10H8FN
Exact Mass: 161.06
Molecular Weight: 161.18
m/z: 161.06 (100.0%), 162.07 (10.9%)
Elemental Analysis: C, 74.52; H, 5.00; F, 11.79; N, 8.69
 
InChI: InChI=1S/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
InChIKey: GPIARMSVZOEZCV-UHFFFAOYSA-N
Canonical SMILES : CC1=NC2=C(C=C1)C=C(C=C2)F
 
Thermal Properties Value Condition Note
Boiling Point 123-126 °C Press: 17 Torr (1)IC
Melting Point 57-59 °C   (7)CAS
Melting Point 54-56 °C   (8)IC
Melting Point 52-53 °C   (6)CAS
Melting Point 42-44 °C   (3)CAS

Specification

98%
References
  1. (1) Sauter, F.; Scientia Pharmaceutica 1989, V57(1), P7-20 CAPLUS
  2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  3. (3) Ramesh, Chintakunta; Tetrahedron Letters 2010, V51(40), P5234-5237 CAPLUS
  4. (4) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Matsubara, Yoshio; Angewandte Chemie, International Edition 2011, V50(33), P7670-7673, S7670/1-S7670/15 CAPLUS
  7. (7) Mirek, Julian; Zeszyty Nauk. Uniw. Jagiel., Ser. Nauk Chem. 1962, V7, P173-6 CAPLUS
  8. (8) Leir, Charles M.; Journal of Organic Chemistry 1977, V42(5), P911-13 CAPLUS
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