4-(Trifluoromethylthio)aniline - CAS 372-16-7

Catalog:	BB023232
Product Name:	4-(Trifluoromethylthio)aniline
CAS:	372-16-7
Synonyms:	4-(trifluoromethylsulfanyl)aniline

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Computed Properties

IUPAC Name:	4-(trifluoromethylsulfanyl)aniline
Description:	4-(Trifluoromethylthio)aniline (CAS# 372-16-7) is a useful research chemical.
Molecular Weight:	193.19
Molecular Formula:	C7H6F3NS
Canonical SMILES:	C1=CC(=CC=C1N)SC(F)(F)F
InChI:	InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
InChI Key:	OHHHTUXVBNGOGI-UHFFFAOYSA-N
Boiling Point:	183 °C / 760 mmHg
Density:	1.351 g/cm³
Storage:	Keep in dark place. Inert atmosphere. Room temperature.
MDL:	MFCD00040926
LogP:	3.46190

Publication Number	Title	Priority Date
CN-113087684-A	Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate	20210323
CN-113201020-A	Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate	20210323
CN-112778125-A	Aryl phenol compound and synthesis method and application thereof	20210201
JP-2020189891-A	Harmful arthropod control method using heterocyclic compound	20200831
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204

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GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (97.73%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (13.64%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (97.73%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P280
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.01730486
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.01730486
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3