3,5-Difluoronitrobenzene - CAS 2265-94-3

Catalog:	BB017701
Product Name:	3,5-Difluoronitrobenzene
CAS:	2265-94-3
Synonyms:	1,3-difluoro-5-nitrobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-difluoro-5-nitrobenzene
Description:	3,5-Difluoronitrobenzene has been used to improve thermal stability of immobilized porcine pancrease lipase.
Molecular Weight:	159.09
Molecular Formula:	C6H3F2NO2
Canonical SMILES:	C1=C(C=C(C=C1F)F)[N+](=O)[O-]
InChI:	InChI=1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI Key:	AUQBBDWDLJSKMI-UHFFFAOYSA-N
Boiling Point:	176-177 °C
Melting Point:	17 °C
Purity:	95 %
Density:	1.407 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00012142
LogP:	2.39620

Publication Number	Title	Priority Date
WO-2021026098-A1	Kif18a inhibitors	20190802
WO-2021026099-A1	Kif18a inhibitors	20190802
WO-2021026100-A1	Pyridine derivatives as kif18a inhibitors	20190802
US-2020369626-A1	Compositions of sphingosine-1-phosphate receptor 2 (s1pr2) binding agents and uses thereof	20190430
CN-109456224-A	A method of preparing 2,6- difluoro indophenols acetic acid esters	20181217

PMID	Publication Date	Title	Journal
18461918	20080605	Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations	The journal of physical chemistry. A

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[452-76-6]
2,4-Difluorotoluene

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[351-28-0]
3'-Fluoroacetanilide
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.01318466
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.01318466
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1