Cas no 5541-49-1 (2-bromobenzene-1,4-diyl dibenzoate)
5541-49-1 structure
Product Name:2-bromobenzene-1,4-diyl dibenzoate
CAS No:5541-49-1
MF:C20H13BrO4
MW:397.218825101852
CID:1597109
PubChem ID:1103889
Update Time:2025-04-21
2-bromobenzene-1,4-diyl dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-bromobenzene-1,4-diyl dibenzoate
- (4-benzoyloxy-3-bromophenyl) benzoate
- DTXSID00360353
- 2-bromo-1,4-phenylene dibenzoate
- AKOS000592404
- Oprea1_149731
- Oprea1_541713
- 5541-49-1
- BAS 00498146
- 4-(BENZOYLOXY)-2-BROMOPHENYL BENZOATE
-
- Inchi： 1S/C20H13BrO4/c21-17-13-16(24-19(22)14-7-3-1-4-8-14)11-12-18(17)25-20(23)15-9-5-2-6-10-15/h1-13H
- InChI Key： NQIPWKPOKFIRIQ-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=CC=1OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 395.99969
- Monoisotopic Mass: 395.999722
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 455
- 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
- Topological Polar Surface Area: 52.6
- Surface Charge: 0
- XLogP3: 5.4
Experimental Properties
- Density: 1.457
- Boiling Point: 542.6°C at 760 mmHg
- Flash Point: 282°C
- Refractive Index: 1.632
- PSA: 52.6
- LogP: 5.4
2-bromobenzene-1,4-diyl dibenzoate Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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