4-Bromo-2-(trifluoromethyl)pyridine hydrobromide - CAS 1263378-63-7

Catalog:	BB006576
Product Name:	4-Bromo-2-(trifluoromethyl)pyridine hydrobromide
CAS:	1263378-63-7
Synonyms:	4-bromo-2-(trifluoromethyl)pyridine;hydrobromide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2-(trifluoromethyl)pyridine;hydrobromide
Description:	4-Bromo-2-(trifluoromethyl)pyridine hydrobromide (CAS# 1263378-63-7) is a useful research chemical.
Molecular Weight:	306.91
Molecular Formula:	C6H3BrF3N·HBr
Canonical SMILES:	C1=CN=C(C=C1Br)C(F)(F)F.Br
InChI:	InChI=1S/C6H3BrF3N.BrH/c7-4-1-2-11-5(3-4)6(8,9)10;/h1-3H;1H
InChI Key:	XVEXNWJBZDKDBQ-UHFFFAOYSA-N
MDL:	MFCD18432613
LogP:	3.82100

Publication Number	Title	Priority Date
AU-2013346882-A1	Process for the preparation of 2-trifluoromethyl isonicotinic acid and esters	20121116
AU-2013346882-B2	Process for the preparation of 2-trifluoromethyl isonicotinic acid and esters	20121116
CA-2885155-A1	Process for the preparation of 2-trifluoromethyl isonicotinic acid and esters	20121116
EP-2920150-A1	Process for the preparation of 2-trifluoromethyl isonicotinic acid and esters	20121116
EP-2920150-B1	Process for the preparation of 2-trifluoromethyl isonicotinic acid and esters	20121116

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Related Functional Groups

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.86421
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	304.86626
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0