2-Bromoterephthalic Acid
Product Information
Molecular Formula
C8H5BrO4
Molecular Weight
245.03
Description
2-Bromoterephthalic acid is a useful research chemical.
Synonyms
2-bromoterephthalic acid; 2-bromoterephthalic acid
IUPAC Name
2-bromoterephthalic acid
SMILES
C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
InChI
InChI=1S/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key
QPBGNSFASPVGTP-UHFFFAOYSA-N
Boiling Point
421.6±40.0 °C (Predicted)
Melting Point
295-297 °C (lit.)
Purity
95 %
Density
1.8281 (rou gh estimate)
Storage
Store below +30 °C.
Refractive Index
1.4490 (estimate)
LogP
1.84550
Safety Information
Hazards
H301 - H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
2.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
243.93712 g/mol
Monoisotopic Mass
243.93712 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
228
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113800520-A | Composite material based on metal organic framework compound and preparation method thereof | 2021-09-14 |
| CN-113842950-A | Application method of metal oxide and metal organic framework composite material in photocatalytic degradation of antibiotics | 2021-08-18 |
| CN-113731501-A | Preparation method and application of bromine-doped MOF derivative photocatalyst | 2021-08-17 |
| CN-113694747-A | Application to CO2Separated polyimide mixed matrix membrane and preparation method thereof | 2021-08-02 |
| CN-113527700-A | Method for regulating and controlling catalytic activity of MIL-88 material | 2021-06-28 |
| CN-113350514-A | Hybrid material of bacteria and MOF-based carrier, and preparation method and application thereof | 2021-05-24 |
| CN-113045766-A | Novel cigarette fire retardant and preparation method and application thereof | 2021-03-24 |
| CN-113019458-A | Preparation method and application of UV-Vis-NIR wide spectral response functionalized MOF catalyst | 2021-03-22 |
| CN-112920814-A | Double-transition metal-based composite liquid crystal material and preparation method thereof | 2021-02-24 |
| CN-112940274-A | Metal organic framework piezoelectric material, preparation method and application thereof, and sensor element | 2021-02-05 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20929220 | 2010-11-01 | Two-step adsorption on jungle-gym-type porous coordination polymers: dependence on hydrogen-bonding capability of adsorbates, ligand-substituent effect, and temperature | Inorganic chemistry |
| 21581368 | 2008-11-20 | 1,3-Di-4-pyrid-ylpropane-2-hydroxy-benzene-1,4-dicarboxylic acid (1/2) | Acta crystallographica. Section E, Structure reports online |
| 18728858 | 2008-09-14 | Dipolar molecular rotors in the metal-organic framework crystal IRMOF-2 | Physical chemistry chemical physics : PCCP |
| 17625840 | 2007-08-06 | (6,3)-honeycomb structures of uranium(VI) benzenedicarboxylate derivatives: the use of noncovalent interactions to prevent interpenetration | Inorganic chemistry |
