4-Fluoro-2-iodobenzoic acid - CAS 56096-89-0

Catalog:	BB029251
Product Name:	4-Fluoro-2-iodobenzoic acid
CAS:	56096-89-0
Synonyms:	4-fluoro-2-iodobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-2-iodobenzoic acid
Description:	4-Fluoro-2-iodobenzoic acid (CAS# 56096-89-0) is a reagent used in organic synthesis including amixile-based inhibitors of the pyruvate-ferredoxin oxidoreductases of anaerobic bacteria.
Molecular Weight:	266.01
Molecular Formula:	C7H4FIO2
Canonical SMILES:	C1=CC(=C(C=C1F)I)C(=O)O
InChI:	InChI=1S/C7H4FIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key:	DUKFTVLJAXWGPI-UHFFFAOYSA-N
Boiling Point:	309.4 °C at 760 mmHg
Melting Point:	140-147 °C
Purity:	98 %
Density:	2.074 g/cm³
Appearance:	Solid
MDL:	MFCD04108278
LogP:	2.12850

Publication Number	Title	Priority Date
CN-113200908-A	Tertiary amine-containing anthranilamide compound and preparation and application thereof	20210409
EP-3854789-A1	Macrocyclic compounds useful as chitinase inhibitors	20200122
CN-111138445-A	Method for preparing 5, 12-dioxaanthracene-6, 11-diketone compound by nickel catalysis	20200119
WO-2021127356-A1	Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same	20191220
WO-2021028935-A1	Heterocyclic compounds, and their use as allosteric modulators of 5-hydroxytryptamine 2c receptor (5-ht2cr)	20190812

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Related Functional Groups

Carbonyl Compounds

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2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
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[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
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Fluorinated Building Blocks

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Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[451-46-7]
Ethyl 4-fluorobenzoate

GHS Hazard Statement:	H301 (97.5%): 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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.92401
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	265.92401
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2