Cas no 32919-04-3 (Acetic acid,2,2,2-tribromo-, phenylmethyl ester)
32919-04-3 structure
Product Name:Acetic acid,2,2,2-tribromo-, phenylmethyl ester
CAS No:32919-04-3
MF:C9H7Br3O2
MW:386.862680673599
CID:310298
PubChem ID:118362
Update Time:2025-04-19
Acetic acid,2,2,2-tribromo-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2,2-tribromo-, phenylmethyl ester
- Benzyl tribromoacetate
- benzyl 2,2,2-tribromoacetate
- 32919-04-3
- Q27236696
- UNII-0F2DAV734D
- EINECS 251-297-0
- DTXSID80186573
- SCHEMBL9579513
- NS00029384
- 0F2DAV734D
-
- Inchi： 1S/C9H7Br3O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key： JYMUNLHUZAPKLC-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OCC1C=CC=CC=1)(Br)Br
Computed Properties
- Exact Mass: 383.79951
- Monoisotopic Mass: 383.8
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 195
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 2.127
- Boiling Point: 335.7°Cat760mmHg
- Flash Point: 156.8°C
- Refractive Index: 1.638
- PSA: 26.3
Acetic acid,2,2,2-tribromo-, phenylmethyl ester Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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