1-(2-Aminophenyl)-2,2,2-trifluoroethanone - CAS 351002-89-6

Name: 1-(2-Aminophenyl)-2,2,2-trifluoroethanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022427
Product Name:	1-(2-Aminophenyl)-2,2,2-trifluoroethanone
CAS:	351002-89-6
Synonyms:	1-(2-aminophenyl)-2,2,2-trifluoroethanone; 1-(2-aminophenyl)-2,2,2-trifluoroethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-aminophenyl)-2,2,2-trifluoroethanone
Description:	1-(2-Aminophenyl)-2,2,2-trifluoroethanone (CAS# 351002-89-6) is a useful research chemical.
Molecular Weight:	189.13
Molecular Formula:	C8H6F3NO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)C(F)(F)F)N
InChI:	InChI=1S/C8H6F3NO/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4H,12H2
InChI Key:	ZJPHDPZUAINCNU-UHFFFAOYSA-N
LogP:	2.59500

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (100%): 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-110204450-A	A kind of synthetic method of the chloro- 2- trifluoroacetyl aniline hydrochloride hydrate of 4-	20190524
US-2020316079-A1	Erbb/btk inhibitors	20180131
US-11007198-B2	ErbB/BTK inhibitors	20180131
EP-3521274-A1	Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof	20160929
US-2019233456-A1	Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof	20160929

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.04014830
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.04014830
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7