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

Name: 3,5-Difluoronitrobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

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

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

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