2,3,4,6-Tetrafluoronitrobenzene - CAS 314-41-0

Name: 2,3,4,6-Tetrafluoronitrobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020923
Product Name:	2,3,4,6-Tetrafluoronitrobenzene
CAS:	314-41-0
Synonyms:	1,2,3,5-tetrafluoro-4-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2,3,5-tetrafluoro-4-nitrobenzene
Description:	2,3,4,6-Tetrafluoronitrobenzene (CAS# 314-41-0) is a useful research chemical.
Molecular Weight:	195.07
Molecular Formula:	C6HF4NO2
Canonical SMILES:	C1=C(C(=C(C(=C1F)F)F)[N+](=O)[O-])F
InChI:	InChI=1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H
InChI Key:	FDLCUAUNAWWSBX-UHFFFAOYSA-N
Boiling Point:	78-79 °C / 20 mmHg
Melting Point:	-5 °C
Purity:	95 %
Density:	1.51 g/cm³
Appearance:	Yellow liquid
MDL:	MFCD00011687
LogP:	2.67440

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]C7H6F2
2,4-Difluorotoluene
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Nitrogen Compounds

[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[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-
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020057403-A1	Indole derivative and medical application thereof	20180918
CN-112996784-A	Indole derivatives and their use in medicine	20180918
WO-2020056089-A1	Phenoxy-pyridyl-pyrimidine compounds and methods of use	20180912
TW-202024051-A	Phenoxy-pyridyl-pyrimidine compounds and methods of use	20180912
EP-3849664-A1	Phenoxy-pyridyl-pyrimidine compounds and methods of use	20180912

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.99434092
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.99434092
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3