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

Name: 4-Bromo-3-fluoroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Fluorinated Building Blocks

[452-76-6]C7H6F2
2,4-Difluorotoluene
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
[5310-68-9]C6H4ClF5S
4-Chlorophenylsulphur pentafluoride
[132182-92-4]C7H3F13O
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[452-76-6]C7H6F2
2,4-Difluorotoluene
[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
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

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

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

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