2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine - CAS 628692-22-8

Catalog:	BB031855
Product Name:	2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine
CAS:	628692-22-8
Synonyms:	Pyridine, 2-chloro-3-fluoro-4-(trifluoromethyl)-; 2-Chloro-3-fluoro-4-trifluoromethylpyridine
Application:	Transition Metal Catalysts

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-3-fluoro-4-(trifluoromethyl)pyridine
Molecular Weight:	199.53
Molecular Formula:	C6H2ClF4N
Canonical SMILES:	C1=CN=C(C(=C1C(F)(F)F)F)Cl
InChI:	InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H
InChI Key:	YKQVABFVOGPIKX-UHFFFAOYSA-N
Boiling Point:	172.4±35.0°C at 760 mmHg
Purity:	≥95%
Density:	1.507±0.06 g/cm3
Appearance:	Colorless liquid
Storage:	Store at 2-8°C under inert gas (nitrogen or Argon)
MDL:	MFCD04038326
LogP:	2.89290

Publication Number	Title	Priority Date
US-8906911-B2	Chemokine receptor antagonists	20120402
WO-2013149376-A1	Chemokine receptor antagonists	20120402
US-2013261129-A1	Chemokine receptor antagonists	20120401
EP-2588451-B1	Piperidine derivatives and their use for the treatment of metabolic disorders	20100701
US-2012157425-A1	New compounds, pharmaceutical compositions and uses thereof	20100701

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Related Functional Groups

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[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[35989-28-7]
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[351-28-0]
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[927800-47-3]
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[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

Pyridines

[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[856848-33-4]
2-Amino-4,5-dibromopyridine
[7356-60-7]
3-Amidinopyridine Hydrochloride
[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine

GHS Hazard Statement:	H300 (86.36%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, 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:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.9811894
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.9811894
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8