Cas no 1189107-62-7 (6-Bromo-8-methylquinoline-3-carboxylic acid)
1189107-62-7 structure
Product Name:6-Bromo-8-methylquinoline-3-carboxylic acid
CAS No:1189107-62-7
MF:C11H8BrNO2
MW:266.090722084045
CID:2618793
PubChem ID:45599446
Update Time:2025-04-21
6-Bromo-8-methylquinoline-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1189107-62-7
- DTXSID00670989
- 6-Bromo-8-methylquinoline-3-carboxylic acid
- MFCD12675064
-
- Inchi： 1S/C11H8BrNO2/c1-6-2-9(12)4-7-3-8(11(14)15)5-13-10(6)7/h2-5H,1H3,(H,14,15)
- InChI Key： XPCJKHGPUVIPLK-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C2C(C=1)=CC(C(=O)O)=CN=2
Computed Properties
- Exact Mass: 264.97384Da
- Monoisotopic Mass: 264.97384Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- Density: 1.6±0.1 g/cm3
- Boiling Point: 415.1±40.0 °C at 760 mmHg
- Flash Point: 204.9±27.3 °C
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
6-Bromo-8-methylquinoline-3-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
6-Bromo-8-methylquinoline-3-carboxylic acid Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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