4-Bromomethyl-3-nitrobenzoic acid - CAS 55715-03-2

Name: 4-Bromomethyl-3-nitrobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029149
Product Name:	4-Bromomethyl-3-nitrobenzoic acid
CAS:	55715-03-2
Synonyms:	4-(bromomethyl)-3-nitrobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-(bromomethyl)-3-nitrobenzoic acid
Description:	4-Bromomethyl-3-nitrobenzoic acid (CAS# 55715-03-2) is a useful research chemical.
Molecular Weight:	260.04
Molecular Formula:	C8H6BrNO4
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
InChI:	InChI=1S/C8H6BrNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key:	QMAHVAFURJBOFV-UHFFFAOYSA-N
Boiling Point:	392 °C
Melting Point:	128-133 °C
Purity:	97.0+ %
Density:	1.814 g/cm³
Appearance:	White to yellow solid
MDL:	MFCD00216575
LogP:	2.71110

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H314 (97.78%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113024436-A	Cys fluorescent molecular probe for detecting DNA (deoxyribonucleic acid) targeting under reduction stress as well as preparation method and application of Cys fluorescent molecular probe	20210310
CN-112574089-A	Photoinduced multifunctional cross-linking agent, and preparation method and application thereof	20190930
CN-110628887-A	Biomolecule microarray and preparation method and application thereof	20190926
CN-112358414-A	Unnatural amino acids and their use in protein site-directed modification and protein interactions	20190725
CN-110183549-B	light/pH double-responsiveness sodium alginate derivative and preparation method and application thereof	20190505

PMID	Publication Date	Title	Journal
22179668	20120501	Ionic liquid-supported synthesis of dihydroquinazolines and tetrahydroquinazolines under microwave irradiation	Molecular diversity
20590093	20100728	Holographically defined nanoparticle placement in 3D colloidal crystals	Journal of the American Chemical Society
17206845	20070101	Synthesis of a library of 2-alkyl-3-alkyloxy-2H-indazole-6-carboxamides	Journal of combinatorial chemistry
12945737	20030101	Application of polymer-bound 4-(bromomethyl)-3-nitrobenzoic acid for synthesis of trisubstituted 1,4-benzodiazepine-2,3-diones	Molecular diversity
12111958	20020601	Dy-DTPA derivatives as relaxation agents for very high field MRI: the beneficial effect of slow water exchange on the transverse relaxivities	Magnetic resonance in medicine

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.94802
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.94802
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8