Cas no 17345-74-3 (1,2,3-Benzenetriol,4,5,6-tribromo-)
17345-74-3 structure
Product Name:1,2,3-Benzenetriol,4,5,6-tribromo-
CAS No:17345-74-3
MF:C6H3Br3O3
MW:362.798219919205
CID:227005
PubChem ID:226481
Update Time:2025-04-19
1,2,3-Benzenetriol,4,5,6-tribromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetriol,4,5,6-tribromo-
- 4,5,6-tribromobenzene-1,2,3-triol
- 4,5,6-tribromo-pyrogallol
- 4,5,6-Tribrom-pyrogallol
- AC1L5ESR
- AC1Q25HW
- AG-K-72325
- AR-1F8259
- CTK4D4648
- NSC16931
- tribromopyrogallol
- Tribrompyrogallol
- Tribrom-pyrogallol
- 17345-74-3
- SCHEMBL6436652
- NSC-16931
- DTXSID30280459
-
- Inchi： 1S/C6H3Br3O3/c7-1-2(8)4(10)6(12)5(11)3(1)9/h10-12H
- InChI Key： ARJKUIKBPQATMT-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1O)O)O)Br)Br
Computed Properties
- Exact Mass: 359.76309
- Monoisotopic Mass: 359.763232
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 152
- 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: 60.7
- XLogP3: 2.9
Experimental Properties
- Density: 2.722
- Boiling Point: 341.7°C at 760 mmHg
- Flash Point: 160.5°C
- Refractive Index: 1.762
- PSA: 60.69
- LogP: 3.09090
1,2,3-Benzenetriol,4,5,6-tribromo- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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