Cas no 84604-85-3 (Phenol,4-bromo-2-(4-nitrophenoxy)-)
84604-85-3 structure
Product Name:Phenol,4-bromo-2-(4-nitrophenoxy)-
CAS No:84604-85-3
MF:C12H8BrNO4
MW:310.100222587585
CID:722559
PubChem ID:3020004
Update Time:2025-04-19
Phenol,4-bromo-2-(4-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-bromo-2-(4-nitrophenoxy)-
- 4-bromo-2-(4-nitrophenoxy)phenol
- EINECS 283-369-2
- NS00038579
- 84604-85-3
- DTXSID70233601
-
- Inchi： 1S/C12H8BrNO4/c13-8-1-6-11(15)12(7-8)18-10-4-2-9(3-5-10)14(16)17/h1-7,15H
- InChI Key： YMBWRALKQKZRIV-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)OC1C=CC(=CC=1)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 308.96367
- Monoisotopic Mass: 308.96367
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 288
- 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: 75.3
- XLogP3: 3.6
Experimental Properties
- Density: 1.662
- Boiling Point: 382.6°C at 760 mmHg
- Flash Point: 185.2°C
- Refractive Index: 1.659
Phenol,4-bromo-2-(4-nitrophenoxy)- 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
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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