4-Chloro-2-(trifluoroacetyl)aniline - CAS 154598-53-5

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

Catalog:	BB011035
Product Name:	4-Chloro-2-(trifluoroacetyl)aniline
CAS:	154598-53-5
Synonyms:	1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone; 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone
Description:	An intermediate in the synthesis of Efavirenz-d4 (E425002).
Molecular Weight:	223.58
Molecular Formula:	C8H5ClF3NO
Canonical SMILES:	C1=CC(=C(C=C1Cl)C(=O)C(F)(F)F)N
InChI:	InChI=1S/C8H5ClF3NO/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3H,13H2
InChI Key:	NOKSRMDODJGCPZ-UHFFFAOYSA-N
Boiling Point:	282.279 °C at 760 mmHg
Density:	1.475 g/cm³
LogP:	3.24840

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

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Publication Number	Title	Priority Date
CN-112300014-A	Method for synthesizing 4-chloro-2- (trifluoroacetyl) aniline by using microchannel reactor	20190926
CN-109761829-A	A kind of preparation method of high chiral purity efavirenz intermediate	20190219
EP-3696157-A1	Process for friedel-crafts reaction, and catalyst therefore	20190215
US-2020262775-A1	Process for Friedel-Crafts Reaction, and Catalyst Therefore	20190215
WO-2020164218-A1	New process for friedel-crafts reaction, and catalyst therefore	20190215

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.001176
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.001176
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2