2,5-Difluoro-4-nitrobenzoic Acid - CAS 116465-48-6

Name: 2,5-Difluoro-4-nitrobenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003755
Product Name:	2,5-Difluoro-4-nitrobenzoic Acid
CAS:	116465-48-6
Synonyms:	2,5-difluoro-4-nitrobenzoic acid; 2,5-difluoro-4-nitrobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-difluoro-4-nitrobenzoic acid
Description:	2,5-Difluoro-4-nitrobenzoic Acid (CAS# 116465-48-6) is a useful research chemical.
Molecular Weight:	203.10
Molecular Formula:	C7H3F2NO4
Canonical SMILES:	C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O
InChI:	InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:	GPTNSBLYGCZJQV-UHFFFAOYSA-N
Boiling Point:	364.8 °C at 760 mmHg
Density:	1.661 g/cm³
MDL:	MFCD03425705
LogP:	2.09440

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[17746-05-3]C11H21ClO
Undecanoyl chloride
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

GHS Hazard Statement:	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021194318-A1	Plk1 selective degradation inducing compound	20200327
WO-2021061643-A1	METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION	20190923
CN-111377907-A	Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof	20181226
WO-2020135507-A1	Polysubstituted anilinopyrimidine derivative and preparation method and application thereof	20181226
WO-2020132648-A1	Kif18a inhibitors	20181220

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.00301390
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.00301390
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5