Cas no 7471-59-2 (1,3-Benzenedicarboxaldehyde,2-bromo-4,6-dihydroxy-5-methoxy-)
7471-59-2 structure
Product Name:1,3-Benzenedicarboxaldehyde,2-bromo-4,6-dihydroxy-5-methoxy-
CAS No:7471-59-2
MF:C9H7BrO5
MW:275.052882432938
CID:575923
PubChem ID:344382
Update Time:2025-04-19
1,3-Benzenedicarboxaldehyde,2-bromo-4,6-dihydroxy-5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxaldehyde,2-bromo-4,6-dihydroxy-5-methoxy-
- 2-bromo-4,6-dihydroxy-5-methoxybenzene-1,3-dicarbaldehyde
- 2-Brom-4,6-dihydroxy-5-methoxy-isophthalaldehyd
- 2-bromo-4,6-dihydroxy-5-methoxy-isophthalaldehyde
- AC1L80FE
- KB-228791
- NSC401249
- NSC 401249
- NSC-401249
- DTXSID30322444
- 7471-59-2
-
- Inchi： 1S/C9H7BrO5/c1-15-9-7(13)4(2-11)6(10)5(3-12)8(9)14/h2-3,13-14H,1H3
- InChI Key： DQJMGQMKKWVSME-UHFFFAOYSA-N
- SMILES： BrC1=C(C=O)C(=C(C(=C1C=O)O)OC)O
Computed Properties
- Exact Mass: 273.94761
- Monoisotopic Mass: 273.948
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 1.9
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- Density: 1.835
- Boiling Point: 339.4°C at 760 mmHg
- Flash Point: 159°C
- Refractive Index: 1.699
- PSA: 83.83
- LogP: 1.49390
1,3-Benzenedicarboxaldehyde,2-bromo-4,6-dihydroxy-5-methoxy- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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