2-Bromoterephthalic Acid - CAS 586-35-6

Catalog:	BB030108
Product Name:	2-Bromoterephthalic Acid
CAS:	586-35-6
Synonyms:	2-bromoterephthalic acid; 2-bromoterephthalic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-bromoterephthalic acid
Description:	2-Bromoterephthalic acid is a useful research chemical.
Molecular Weight:	245.03
Molecular Formula:	C8H5BrO4
Canonical 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.
MDL:	MFCD00002403
LogP:	1.84550
Refractive Index:	1.4490 (estimate)

Publication Number	Title	Priority Date
CN-113350514-A	Hybrid material of bacteria and MOF-based carrier, and preparation method and application thereof	20210524
CN-113045766-A	Novel cigarette fire retardant and preparation method and application thereof	20210324
CN-113019458-A	Preparation method and application of UV-Vis-NIR wide spectral response functionalized MOF catalyst	20210322
CN-112940274-A	Metal organic framework piezoelectric material, preparation method and application thereof, and sensor element	20210205
CN-112604659-A	Chiral ligand exchange type COF @ MOF/L composite material and preparation method thereof	20201127

PMID	Publication Date	Title	Journal
20929220	20101101	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	20081120	1,3-Di-4-pyrid-ylpropane-2-hydroxy-benzene-1,4-dicarboxylic acid (1/2)	Acta crystallographica. Section E, Structure reports online
18728858	20080914	Dipolar molecular rotors in the metal-organic framework crystal IRMOF-2	Physical chemistry chemical physics : PCCP
17625840	20070806	(6,3)-honeycomb structures of uranium(VI) benzenedicarboxylate derivatives: the use of noncovalent interactions to prevent interpenetration	Inorganic chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H301 (84.44%): Toxic if swallowed [Danger Acute toxicity, oral]
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

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.93712
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	243.93712
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6