2-Chloro-4-(trifluoromethyl)aniline - CAS 39885-50-2

Catalog:	BB024176
Product Name:	2-Chloro-4-(trifluoromethyl)aniline
CAS:	39885-50-2
Synonyms:	2-chloro-4-(trifluoromethyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-(trifluoromethyl)aniline
Description:	2-Chloro-4-(trifluoromethyl)aniline (CAS# 39885-50-2) is a useful research chemical.
Molecular Weight:	195.57
Molecular Formula:	C7H5ClF3N
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)Cl)N
InChI:	InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
InChI Key:	MBBUTABXEITVNY-UHFFFAOYSA-N
Boiling Point:	89 ℃ (0.5 mmHg)
Purity:	98 %
Density:	1.4160 g/cm³
Appearance:	Clear light yellow to yellow liquid after melting
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00042563
LogP:	3.52220

Publication Number	Title	Priority Date
CN-112851535-A	Synthesis and application of novel 4, 4' - ((polyhalogenated phenyl) azadiyl) bis (methylene) dibenzoic acid	20210122
CN-112047941-A	Compound and application thereof in preparing medicine for treating diseases caused by high expression of Flt3/c-Met kinase	20200914
CN-112076185-A	Halogenated diaryl urea compounds and application thereof in preparation of antiallergic drugs	20200817
WO-2021151104-A1	Salicylamide derivatives and related methods of making	20200126
WO-2021018869-A1	1,2,4-oxadiazol-5-one derivatives for the treatment of cancer	20190729

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GHS Hazard Statement:	H301 (84.78%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0062613
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.0062613
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1