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

Name: 2-Chloro-4-fluoroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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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

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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
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one 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
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[113583-35-0]C7H10N2O4S
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
[505054-58-0]C11H8F3N3O2
8-(Trifluoromethyl)-6,7-Dihydro-5H-Cyclopenta[D]Pyrazolo[1,5-A]Pyrimidine-2-Carboxylic Acid
[1011355-77-3]C13H9N3O2
5-Phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

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

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

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