Cas no 6974-87-4 (Dodecanoic acid,2-bromo-, ethyl ester)
6974-87-4 structure
Product Name:Dodecanoic acid,2-bromo-, ethyl ester
CAS No:6974-87-4
MF:C14H27BrO2
MW:307.266984224319
CID:510671
PubChem ID:95583
Update Time:2025-04-19
Dodecanoic acid,2-bromo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid,2-bromo-, ethyl ester
- ETHYL A-BROMOLAURATE
- 2-Brom-dodecansaeure-aethylester
- 2-Bromododecanoic acid ethyl ester
- 2-Bromolauric acid ethyl ester
- ethyl 2-bromododecanoate
- Ethyl2-bromoLaurate
- NSC-22012
- 6974-87-4
- 1-(2-furylsulfanyl)propan-2-one
- NS00044442
- Ethyl .alpha.-bromo laurate
- NSC22012
- EINECS 230-227-2
- NSC 22012
- A836631
- alpha-bromo-dodecanoic acid ethyl ester
- Dodecanoic acid, 2-bromo-, ethyl ester
- FT-0625935
- SCHEMBL4704070
- 1-(2-furylsulfanyl)acetone
- Dodecanoic acid,2-bromo-,ethyl ester
- Ethyl alpha-bromo laurate
- DTXSID401284271
-
- Inchi： 1S/C14H27BrO2/c1-3-5-6-7-8-9-10-11-12-13(15)14(16)17-4-2/h13H,3-12H2,1-2H3
- InChI Key： VGYZSIMAKGWWOP-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 306.11900
- Monoisotopic Mass: 306.119
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 183
- 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: 6.4
Experimental Properties
- Density: 1.11
- Boiling Point: 300.8°C at 760 mmHg
- Flash Point: 150.7°C
- Refractive Index: 1.464
- PSA: 26.30000
- LogP: 4.84380
Dodecanoic acid,2-bromo-, ethyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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