Cas no 4554-19-2 (methyl 2-bromohexanoate)
methyl 2-bromohexanoate structure
Product Name:methyl 2-bromohexanoate
methyl 2-bromohexanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-bromohexanoate
- F20310
- methyl alpha-bromo hexanoate
- 2-bromo-hexanoic acid methyl ester
- MFCD00045038
- FT-0628441
- Methyl 2-bromocaproate
- AKOS015917714
- NSC21976
- Methyl 2-bromohexanoate, >=99.0% (GC)
- 2-Bromohexanoicacidmethylester
- NSC-21976
- AMY21797
- Hexanoic acid, 2-bromo-, methyl ester
- 4554-19-2
- 70288-61-8
- NSC 21976
- SCHEMBL873757
- EN300-66711
- 5445-19-2
- methyl bromohexanoate
- 2-BROMOHEXANOIC ACID METHYL ESTER
- SY052225
- W-105624
- EINECS 226-643-9
- A830187
- M2378
- METHYL2-BROMOHEXANOATE
- AS-12642
- BR1274
- YGLPDRIMFIXNBI-UHFFFAOYSA-N
- methyl 2-bromanylhexanoate
- NS00020837
- methyl-2-bromohexanoate
- A826842
- CS-M2020
- FT-0628442
- DTXSID9052715
-
- Inchi： 1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
- InChI Key： YGLPDRIMFIXNBI-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OC)CCCC
Computed Properties
- Exact Mass: 208.01
- Monoisotopic Mass: 208.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 104
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.7
Experimental Properties
- Density: 1.289?g/mL?at 20?°C(lit.)
- Melting Point: < -10°C
- Boiling Point: 195.9 °C at 760 mmHg
- Flash Point: 80.6 °C
- Refractive Index: n20/D 1.455
- PSA: 26.30000
- LogP: 2.11310
methyl 2-bromohexanoate Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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