Cas no 6639-16-3 (2-bromoethyl 2-methylbenzoate)
2-bromoethyl 2-methylbenzoate structure
Product Name:2-bromoethyl 2-methylbenzoate
CAS No:6639-16-3
MF:C10H11BrO2
MW:243.097142457962
CID:527516
PubChem ID:226898
Update Time:2025-04-19
2-bromoethyl 2-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-bromoethyl 2-methylbenzoate
- 2-Bromethyl-2-methylbenzoat
- AC1L5F3K
- AC1Q66HH
- AG-G-50508
- AR-1D9600
- CTK2F8615
- KB-229174
- NSC17880
-
- Inchi： 1S/C10H11BrO2/c1-8-4-2-3-5-9(8)10(12)13-7-6-11/h2-5H,6-7H2,1H3
- InChI Key： HLTSTDJOZGFHNE-UHFFFAOYSA-N
- SMILES： BrCCOC(C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 241.99423
- Monoisotopic Mass: 241.994
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.402
- Boiling Point: 291.7°C at 760 mmHg
- Flash Point: 130.2°C
- Refractive Index: 1.55
- PSA: 26.3
- LogP: 2.54670
2-bromoethyl 2-methylbenzoate Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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