4-Bromo-3-fluoroaniline - CAS 656-65-5

Catalog:	BB032789
Product Name:	4-Bromo-3-fluoroaniline
CAS:	656-65-5
Synonyms:	4-bromo-3-fluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-3-fluoroaniline
Description:	4-Bromo-3-fluoroaniline (CAS# 656-65-5) is an intermediate used for the synthetic preparation of Tradizolid and various pharmaceuticals such as the synthesis of several lateral difluoro-substituted 4,4"-dialkyl- and 4,4"-alkoxyalkylterphenyls.
Molecular Weight:	190.01
Molecular Formula:	C6H5BrFN
Canonical SMILES:	C1=CC(=C(C=C1N)F)Br
InChI:	InChI=1S/C6H5BrFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChI Key:	YTMVYYAKOPIJCZ-UHFFFAOYSA-N
Boiling Point:	65-68 °C
Purity:	98 %
Density:	0.982 g/cm³
Appearance:	Beige to brown needles and crystalline powder
MDL:	MFCD00672933
LogP:	2.75160

Publication Number	Title	Priority Date
CN-113354620-A	Efficient preparation method of tedizolid intermediate and intermediate thereof	20210705
CN-113248411-A	Preparation method of halogenated aromatic sulfonyl chloride	20210521
CN-112851562-A	Aromatic ring liquid crystal compound, liquid crystal composition and application thereof	20210122
CN-112827368-A	Anti-pollution reverse osmosis membrane and preparation method thereof	20210107
CN-111978209-A	Synthetic method of tedizolid phosphate intermediate 3-fluoro-4-bromoaniline	20200907

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Related Functional Groups

Fluorinated Building Blocks

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6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[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
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
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Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1597-32-6]
2-Amino-6-fluoropyridine
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

GHS Hazard Statement:	H302 (10.87%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.95894
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2