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

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Nitrogen Compounds

[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1354706-05-0]C6H9BrN2
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[452-76-6]C7H6F2
2,4-Difluorotoluene
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine

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