2-Chloro-3,5-bis(trifluoromethyl)pyridine - CAS 70158-60-0

Catalog:	BB062550
Product Name:	2-Chloro-3,5-bis(trifluoromethyl)pyridine
CAS:	70158-60-0
Synonyms:	2-CHLORO-3,5-BIS(TRIFLUOROMETHYL)PYRIDINE; 2-Chloro-3,5-bistrifluoromethylpyridine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-3,5-bis(trifluoromethyl)pyridine
Description:	2-Chloro-3,5-bis(trifluoromethyl)pyridine is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	249.54
Molecular Formula:	C7H2NF6Cl
Canonical SMILES:	C1=C(C=NC(=C1C(F)(F)F)Cl)C(F)(F)F
InChI:	InChI=1S/C7H2ClF6N/c8-5-4(7(12,13)14)1-3(2-15-5)6(9,10)11/h1-2H
InChI Key:	NZDGCDJQSHKITG-UHFFFAOYSA-N
References:	Chan, K. S., et al. Synthetic Commun., 23, 1929 (1993).

Publication Number	Title	Priority Date
AU-2017206908-A1	3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113
EP-3402781-B1	3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113
KR-20180097732-A	3 - ((hetero-) aryl) -8-amino-2-oxo-1,3-diaza-spiro- [4.5]	20160113
EP-3722284-A1	3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113
EA-037598-B1	DERIVATIVES 3 - ((HETERO-) ARYL) -8-AMINO-2-OXO-1,3-DIAZASPIRO [4,5] DECANE	20160113
KR-101746482-B1	Nitroimidazooxazines and their uses in anti-tubercular therapy	20090731
US-5939568-A	Accelerated catalysis of olefinic epoxidations	19970131
WO-9833786-A1	Accelerated catalysis of olefinic epoxidations	19970131
CA-2153475-A1	1-pyridyltetrazolinone derivatives	19940712
EP-0692482-A2	1-pyridyltetrazolinone derivatives	19940712

PMID	Publication Date	Title	Journal
5839	19760501	IPA Seminar, Montreux, Aug. 15-20, 1975. Recommendations for action programmes to encourage breast feeding	Acta paediatrica Scandinavica

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.9779957
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.9779957
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6