5-Bromo-2,4-difluoroaniline - CAS 452-92-6

Name: 5-Bromo-2,4-difluoroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025823
Product Name:	5-Bromo-2,4-difluoroaniline
CAS:	452-92-6
Synonyms:	5-bromo-2,4-difluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-2,4-difluoroaniline
Description:	5-Bromo-2,4-difluoroaniline (CAS# 452-92-6) is a useful research chemical.
Molecular Weight:	208.00
Molecular Formula:	C6H4BrF2N
Canonical SMILES:	C1=C(C(=CC(=C1Br)F)F)N
InChI:	InChI=1S/C6H4BrF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
InChI Key:	FQZCUAASVCIWSL-UHFFFAOYSA-N
Boiling Point:	158.1 °C at 760 mmHg
Melting Point:	25-29 °C (lit.)
Purity:	95 %
Density:	1.212 g/cm³
Appearance:	White to dark yellow or colorless to brown solid or liquid
Storage:	2-8 °C
MDL:	MFCD03426368
LogP:	2.89070

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Related Functional Groups

Amines and Anilines

[556-90-1]C3H4N2OS
Pseudothiohydantoin
[1232060-85-3]C6H13NO2
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Fluorinated Building Blocks

[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Nitrogen Compounds

[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[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
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2021084498-A1	Fluorinated quinoline, quinoxaline and benzo[b][1,4]oxazine derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases	20191101
WO-2021076890-A1	INHIBITING HUMAN INTEGRIN Î±4Î²7	20191016
WO-2021001528-A1	Novel galactoside inhibitor of galectins	20190703

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.94952
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.94952
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1