5-Chloro-2-(trifluoromethoxy)aniline - CAS 326-64-7

Catalog:	BB021362
Product Name:	5-Chloro-2-(trifluoromethoxy)aniline
CAS:	326-64-7
Synonyms:	5-chloro-2-(trifluoromethoxy)aniline; 5-chloro-2-(trifluoromethoxy)aniline

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-2-(trifluoromethoxy)aniline
Description:	5-Chloro-2-(trifluoromethoxy)aniline (CAS# 326-64-7) is a useful research chemical.
Molecular Weight:	211.57
Molecular Formula:	C7H5ClF3NO
Canonical SMILES:	C1=CC(=C(C=C1Cl)N)OC(F)(F)F
InChI:	InChI=1S/C7H5ClF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
InChI Key:	KSBUTBXMRFVLND-UHFFFAOYSA-N
Boiling Point:	214.5 °C at 760 mmHg
Density:	1.468 g/cm³
MDL:	MFCD06410919
LogP:	3.40200

Publication Number	Title	Priority Date
CN-112159329-A	Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene	20200912
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
WO-2020198266-A1	Small molecule inhibitors of galectin-3	20190326
WO-2019067702-A1	INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3	20170927
WO-2019067702-A9	INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3	20170927

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.001176
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.001176
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1