2-Chloro-4-fluoroaniline - CAS 2106-02-7

Catalog:	BB016575
Product Name:	2-Chloro-4-fluoroaniline
CAS:	2106-02-7
Synonyms:	Benzenamine, 2-chloro-4-fluoro-; 2-Chloro-4-fluorobenzenamine; Aniline, 2-chloro-4-fluoro-; (2-Chloro-4-fluorophenyl)amine; 4-Fluoro-2-chloroaniline

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-chloro-4-fluoroaniline
Molecular Weight:	145.56
Molecular Formula:	C6H5ClFN
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)N
InChI:	InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChI Key:	XRAKCYJTJGTSMM-UHFFFAOYSA-N
Boiling Point:	70-71°C
Melting Point:	192 °C (lit.)
Purity:	95%
Density:	1.349±0.06 g/cm3
Appearance:	Colorless to Light Yellow to Light Orange Clear Liquid
Storage:	Store at RT under inert atmosphere
MDL:	MFCD00042530
LogP:	2.64250

Publication Number	Title	Priority Date
CN-112142799-A	Pyridine diimine iron complex and preparation method and application thereof	20201014
WO-2021195346-A1	Lipoxygenase inhibitors	20200325
US-2021317079-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
WO-2021188769-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
WO-2021163192-A1	Myc inhibitors and uses thereof	20200210

PMID	Publication Date	Title	Journal
21840668	20111205	Understanding of the mass spectrometric fragmentation pathways of a few potentially genotoxic haloaniline isomers in their protonated form by collision-induced dissociation	Journal of pharmaceutical and biomedical analysis
21950150	20110101	Investigation of the unique metabolic fate of ethyl (6R)-6- [N- (2-chloro-4-fluorophenyl) sulfamoyl] cyclohex-1-ene-1-carboxylate (TAK-242) in rats and dogs using two types of 14C-labeled compounds having different labeled positions	Arzneimittel-Forschung

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[1211518-11-4]
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[7492-88-8]
3-piperidinecarbonitrile

Other Pyrimidines

[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

GHS Hazard Statement:	H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, 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:	145.0094550
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.0094550
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4