Cas no 20896-24-6 (3,4-bis(bromomethyl)benzoic acid)
20896-24-6 structure
Product Name:3,4-bis(bromomethyl)benzoic acid
CAS No:20896-24-6
MF:C9H8Br2O2
MW:307.966621398926
CID:910758
PubChem ID:296110
Update Time:2025-04-19
3,4-bis(bromomethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,4-bis(bromomethyl)benzoic acid
- NSC 165911
- SCHEMBL3980824
- DTXSID80304492
- NSC165911
- Benzoic acid, 3,4-bis(bromomethyl)-
- NSC-165911
- 20896-24-6
-
- Inchi： 1S/C9H8Br2O2/c10-4-7-2-1-6(9(12)13)3-8(7)5-11/h1-3H,4-5H2,(H,12,13)
- InChI Key： SBOYXPCSVNYAJZ-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C(=O)O)C=CC=1CBr
Computed Properties
- Exact Mass: 305.88904
- Monoisotopic Mass: 305.889
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 2.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.913
- Boiling Point: 396.1°C at 760 mmHg
- Flash Point: 193.3°C
- Refractive Index: 1.646
- PSA: 37.3
3,4-bis(bromomethyl)benzoic acid Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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