5-Methyl-3-(trifluoromethyl)aniline - CAS 96100-12-8

Catalog:	BB041943
Product Name:	5-Methyl-3-(trifluoromethyl)aniline
CAS:	96100-12-8
Synonyms:	3-methyl-5-(trifluoromethyl)aniline; 3-methyl-5-(trifluoromethyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-5-(trifluoromethyl)aniline
Description:	5-Methyl-3-(trifluoromethyl)aniline (CAS# 96100-12-8) is a useful research chemical.
Molecular Weight:	175.15
Molecular Formula:	C8H8F3N
Canonical SMILES:	CC1=CC(=CC(=C1)N)C(F)(F)F
InChI:	InChI=1S/C8H8F3N/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4H,12H2,1H3
InChI Key:	WYDJMBLMXGCHOL-UHFFFAOYSA-N
Boiling Point:	203.3 °C at 760 mmHg
Density:	1.237 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD01631580
LogP:	3.17720

Publication Number	Title	Priority Date
CN-112079729-A	Preparation method of 3-alkyl-5-trifluoromethylaniline	20200922
US-2021300910-A1	Phebox ligands and methods of making same	20200323
WO-2021067805-A1	Oxalamide heterobycyclic compounds and compositions for treating conditions associated with sting activity	20191003
CN-111825605-A	Aryl ketone amide compound and preparation method and application thereof	20190419
WO-2020186196-A1	Trisubstituted pyrazolo [1,5-a] pyrimidine compounds as cdk7 inhibitors	20190313

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06088375
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06088375
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1