4-Fluoro-3-nitrobenzoic acid - CAS 453-71-4

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

Catalog:	BB025846
Product Name:	4-Fluoro-3-nitrobenzoic acid
CAS:	453-71-4
Synonyms:	4-fluoro-3-nitrobenzoic acid

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Computed Properties

IUPAC Name:	4-fluoro-3-nitrobenzoic acid
Description:	4-Fluoro-3-nitrobenzoic acid (CAS# 453-71-4) is a compound useful in organic synthesis.
Molecular Weight:	185.11
Molecular Formula:	C7H4FNO4
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F
InChI:	InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:	BOJWTAQWPVBIPG-UHFFFAOYSA-N
Boiling Point:	356.9 °C at 760 mmHg
Purity:	97+ %
Density:	1.568 g/cm³
Appearance:	Beige solid
MDL:	MFCD00007058
LogP:	1.95530

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H302 (82.61%): 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

Publication Number	Title	Priority Date
CN-113004241-A	11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof	20210305
CN-112142622-A	Synthesis method of 4-fluoro-3-nitrobenzonitrile	20201102
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
CN-113072597-A	Method for synthesizing On-DNA carbonyl diazacyclo compound	20200103

PMID	Publication Date	Title	Journal
22902883	20120817	Straightforward synthesis of novel 1-(2'-α-O-D-glucopyranosyl ethyl) 2-arylbenzimidazoles	Molecules (Basel, Switzerland)
22511608	20120601	Design and synthesis of new biprivileged molecular scaffolds: indolo-fused benzodiazepinyl/quinoxalinyl benzimidazoles	Chemistry, an Asian journal
21648408	20110711	Divergent synthesis of unsymmetrical annulated biheterocyclic compound libraries: benzimidazole linked indolo-benzodiazepines/quinoxaline	ACS combinatorial science
21472995	20110606	Regioselective, unconventional Pictet-Spengler cyclization strategy toward the synthesis of benzimidazole-linked imidazoquinoxalines on a soluble polymer support	Chemistry, an Asian journal
21582214	20090221	Ethyl 4-fluoro-3-nitro-benzoate	Acta crystallographica. Section E, Structure reports online

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.01243577
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.01243577
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9