Cas no 6639-17-4 (2-bromoethyl 3-methylbenzoate)
2-bromoethyl 3-methylbenzoate structure
Product Name:2-bromoethyl 3-methylbenzoate
CAS No:6639-17-4
MF:C10H11BrO2
MW:243.097142457962
CID:963884
PubChem ID:226899
Update Time:2025-04-19
2-bromoethyl 3-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-bromoethyl 3-methylbenzoate
- 3-Methyl-benzoesaeure-(2'-bromethyl)-ester
- AC1Q66HF
- AG-J-01500
- AR-1D9606
- CTK5C4559
- NSC17881
- 6639-17-4
- DTXSID30280651
- NSC-17881
-
- Inchi： 1S/C10H11BrO2/c1-8-3-2-4-9(7-8)10(12)13-6-5-11/h2-4,7H,5-6H2,1H3
- InChI Key： XCZBZHZTCUMIFA-UHFFFAOYSA-N
- SMILES： BrCCOC(C1C=CC=C(C)C=1)=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: 305.7°C at 760 mmHg
- Flash Point: 138.7°C
- Refractive Index: 1.55
- PSA: 26.3
2-bromoethyl 3-methylbenzoate Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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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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