3,4-Dibromobenzoic Acid - CAS 619-03-4

Catalog:	BB031316
Product Name:	3,4-Dibromobenzoic Acid
CAS:	619-03-4
Synonyms:	3,4-dibromobenzoic acid; 3,4-dibromobenzoic acid

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Computed Properties

IUPAC Name:	3,4-dibromobenzoic acid
Description:	3,4-Dibromobenzoic Acid (CAS# 619-03-4) is a useful research chemical.
Molecular Weight:	279.91
Molecular Formula:	C7H4Br2O2
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)Br)Br
InChI:	InChI=1S/C7H4Br2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key:	DHMPDNLGFIBQCK-UHFFFAOYSA-N
Boiling Point:	356 °C at 760 mmHg
Density:	2.083 g/cm³
LogP:	2.90980

Publication Number	Title	Priority Date
CN-112280025-A	High-stability quantum dot hybrid nanostructure, QLED device and preparation method thereof	20201230
CN-112280025-B	High-stability quantum dot hybrid nanostructure, QLED device and preparation method thereof	20201230
WO-2020198742-A1	High-affinity cu(i) ligands and methods of use thereof	20190328
WO-2020041743-A1	Water soluble novel cyanine fluorophore with tunable properties between near ir and swir region for in vivo imaging	20180823
AU-2019325658-A1	Water soluble novel cyanine fluorophore with tunable properties between near ir and swir region for in vivo imaging	20180823

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.85576
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	277.8578
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8