2,4,6-Trifluoronitrobenzene - CAS 315-14-0

Catalog:	BB020947
Product Name:	2,4,6-Trifluoronitrobenzene
CAS:	315-14-0
Synonyms:	1,3,5-trifluoro-2-nitrobenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1,3,5-trifluoro-2-nitrobenzene
Description:	2,4,6-Trifluoronitrobenzene (CAS# 315-14-0) is a useful research chemical.
Molecular Weight:	177.08
Molecular Formula:	C6H2F3NO2
Canonical SMILES:	C1=C(C=C(C(=C1F)[N+](=O)[O-])F)F
InChI:	InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChI Key:	PWRFDGYYJWQIAB-UHFFFAOYSA-N
Boiling Point:	182-185 °C
Density:	1.514 g/cm³
MDL:	MFCD00014687
LogP:	2.53530

Publication Number	Title	Priority Date
US-2021040115-A1	Fused ring heteroaryl compounds as ripk1 inhibitors	20190809
WO-2021029632-A1	Fused ring heteroaryl compounds as ripk1 inhibitors	20190809
WO-2020225077-A1	Pyrimido[4,5-b]indol derivatives as pdhk1 inhibitors	20190503
WO-2020132483-A1	Rifamycin analogs and antibody-drug conjugates thereof	20181221
US-2020368361-A1	Rifamycin analogs and antibody-drug conjugates thereof	20181221

PMID	Publication Date	Title	Journal
21073425	20100801	Carboxypeptidase from Streptomyces bikiniensis: primary structure, isolation, and properties	Biochemistry. Biokhimiia

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Related Functional Groups

Fluorinated Building Blocks

[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
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

GHS Hazard Statement:	H302 (95.74%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (95.74%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (95.74%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.00376279
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.00376279
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1