4-Bromo-5-fluoro-2-nitrotoluene - CAS 224185-19-7

Name: 4-Bromo-5-fluoro-2-nitrotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017582
Product Name:	4-Bromo-5-fluoro-2-nitrotoluene
CAS:	224185-19-7
Synonyms:	1-bromo-2-fluoro-4-methyl-5-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-fluoro-4-methyl-5-nitrobenzene
Description:	4-Bromo-5-fluoro-2-nitrotoluene (CAS# 224185-19-7) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	CC1=CC(=C(C=C1[N+](=O)[O-])Br)F
InChI:	InChI=1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3
InChI Key:	MTTNTJRJOFVWSY-UHFFFAOYSA-N
Boiling Point:	113.9 °C at 760 mmHg
Melting Point:	59-63 °C
Purity:	98 %
Density:	1.224 g/cm³
MDL:	MFCD04039299
LogP:	3.32800

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
[51516-70-2]C10H7FN4
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Halides

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine
[4185-62-0]C10H6BrNO2
2-Bromo-1-nitronaphthalene

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021160087-A1	Quinolyl phosphine oxide compound, and composition and application thereof	20200214
CN-112300154-A	Nitrogen-containing heterocyclic compound, preparation method and application thereof	20190731
US-2020199073-A1	Substituted 3-((3-aminophenyl)amino)piperidine-2,6-dione compounds, compositions thereof, and methods of treatment therewith	20181219
WO-2020132014-A1	Substituted 3-((3-aminophenyl)amino)piperidine-2,6-dione compounds, compositions thereof, and methods of treatment therewith	20181219
TW-202039435-A	Substituted 3-((3-aminophenyl)amino)piperidine-2,6-dione compounds, compositions thereof, and methods of treatment therewith	20181219

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.94877
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9