4-Chloro-6-(trifluoromethyl)pyrimidine - CAS 37552-81-1

Catalog:	BB023335
Product Name:	4-Chloro-6-(trifluoromethyl)pyrimidine
CAS:	37552-81-1
Synonyms:	4-chloro-6-(trifluoromethyl)pyrimidine; 4-chloro-6-(trifluoromethyl)pyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-6-(trifluoromethyl)pyrimidine
Description:	4-Chloro-6-(trifluoromethyl)pyrimidine (CAS# 37552-81-1) is a useful research chemical.
Molecular Weight:	182.53
Molecular Formula:	C5H2ClF3N2
Canonical SMILES:	C1=C(N=CN=C1Cl)C(F)(F)F
InChI:	InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChI Key:	TYSPDLZOMUDHQZ-UHFFFAOYSA-N
Boiling Point:	166.9 °C at 760 mmHg
Density:	1.504 g/cm³
MDL:	MFCD04972771
LogP:	2.14880

Publication Number	Title	Priority Date
CN-113264945-A	Spiro derivative, preparation method and medical application thereof	20200217
WO-2021064677-A1	Inhibitors of human immunodeficiency virus replication	20191004
WO-2021064571-A1	N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication	20191001
EP-3789378-A1	Piperidines or piperidones substituted with urea and heteroaryl	20190906
WO-2020223715-A1	Substituted (piperidin-1-yl)aryl analogues for modulating avilactivity	20190502

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Related Functional Groups

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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

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.9858603
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.9858603
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1