2,5-Dibromoterephthalic Acid - CAS 13731-82-3

Catalog:	BB008542
Product Name:	2,5-Dibromoterephthalic Acid
CAS:	13731-82-3
Synonyms:	2,5-dibromoterephthalic acid; 2,5-dibromoterephthalic acid

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Computed Properties

IUPAC Name:	2,5-dibromoterephthalic acid
Description:	2,5-Dibromoterephthalic Acid (CAS# 13731-82-3) is a useful research chemical.
Molecular Weight:	323.92
Molecular Formula:	C8H4Br2O4
Canonical SMILES:	C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O
InChI:	InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:	VUTICWRXMKBOSF-UHFFFAOYSA-N
Boiling Point:	445 ℃ at 760 mmHg
Density:	2.205 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00204593
LogP:	2.60800

Publication Number	Title	Priority Date
CN-113234019-A	Hydantoin pharmaceutical co-crystal and preparation method thereof	20210531
CN-113461594-A	Organic light-emitting storage material and bistable OLED memory using same	20210520
CN-112961172-A	Zinc complex constructed by terephthalic acid containing bromine side chain and 2, 2' -bipyridyl and preparation method thereof	20201028
CN-212770531-U	Preparation device with multi-level structure layer-by-layer coated MOFs (metal-organic frameworks) material	20200810
CN-111440475-A	UV orange-peel agent and orange-peel paint	20200524

PMID	Publication Date	Title	Journal
21201829	20080830	2,5-Dibromo-terephthalic acid dihydrate	Acta crystallographica. Section E, Structure reports online
15174868	20040609	Ladder-type pentaphenylenes and their polymers: efficient blue-light emitters and electron-accepting materials via a common intermediate	Journal of the American Chemical Society

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	323.84558
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	321.84763
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4