3,5-Dichloro-2,4,6-trifluoropyridine - CAS 1737-93-5

Name: 3,5-Dichloro-2,4,6-trifluoropyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012956
Product Name:	3,5-Dichloro-2,4,6-trifluoropyridine
CAS:	1737-93-5
Synonyms:	3,5-dichloro-2,4,6-trifluoropyridine

Technical Data

IUPAC Name:	3,5-dichloro-2,4,6-trifluoropyridine
Description:	3,5-Dichloro-2,4,6-trifluoropyridine (CAS# 1737-93-5 ) is a useful research chemical.
Molecular Weight:	201.96
Molecular Formula:	C5Cl2F3N
Canonical SMILES:	C1(=C(C(=NC(=C1Cl)F)F)Cl)F
InChI:	InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9
InChI Key:	PKSORSNCSXBXOT-UHFFFAOYSA-N
Boiling Point:	159-160 °C
Melting Point:	23-24 °C
Purity:	95 %
Density:	1.622 g/cm³
Appearance:	A colorless liquid.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00006226
LogP:	2.80570

GHS Hazard Statement:	H315 (99.01%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-11066421-B1	Synthetic cinchona alkaloids against cancer	20210209
CN-112321497-A	Preparation method of 4-aminopyridine compound	20201211
WO-2020118597-A1	Process for making 1- [ (3r, 4s) -4-cyanotetrahydropyran-3-yl] -3- [ (2-fluoro-6-methoxy-4-pyridyl) amino] pyrazole-4-carboxamide	20181213
WO-2020120673-A1	Process for preparing 1-[(3r,4s)-4-cyanotetrahydropyran-3-yl]-3-[(2-fluoro-6-methoxy-4-pyridyl)amino]p yrazole-4-carboxamide	20181213
CN-113227077-A	Method for preparing 1- [ (3R,4S) -4-cyano tetrahydropyran-3-yl ] -3- [ (2-fluoro-6-methoxy-4-pyridyl) amino ] pyrazole-4-formamide	20181213

PMID	Publication Date	Title	Journal
22504088	20120701	In vitro study to determine decontamination of 3,5-dichloro-2,4,6-trifluoropyridine (DCTFP) from human skin	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
15556447	20050101	Density functional theory calculations and vibrational spectra of 3,5-dibromopyridine and 3,5-dichloro-2,4,6-trifluoropyridine	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.9359889
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.9359889
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1