N-Ethylpyridinium Bromide - CAS 1906-79-2

Catalog:	BB014737
Product Name:	N-Ethylpyridinium Bromide
CAS:	1906-79-2
Synonyms:	1-ethylpyridin-1-ium;bromide; 1-ethylpyridin-1-ium;bromide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-ethylpyridin-1-ium;bromide
Description:	N-Ethylpyridinium Bromide (CAS# 1906-79-2) is a useful research chemical.
Molecular Weight:	188.07
Molecular Formula:	C7H10BrN
Canonical SMILES:	CC[N+]1=CC=CC=C1.[Br-]
InChI:	InChI=1S/C7H10N.BrH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChI Key:	ABFDKXBSQCTIKH-UHFFFAOYSA-M
Melting Point:	120 °C
Purity:	> 98.0 % (T) (HPLC)
Appearance:	White to almost white powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00041999
LogP:	-2.00200
Refractive Index:	1.45

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JP-2021080483-A	Complex	20210304
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PMID	Publication Date	Title	Journal
21112067	20110301	Toxicity of imidazolium- and pyridinium-based ionic liquids and the co-metabolic degradation of N-ethylpyridinium tetrafluoroborate	Chemosphere
20235601	20100325	Thermochemistry of alkyl pyridinium bromide ionic liquids: calorimetric measurements and calculations	The journal of physical chemistry. A
19702295	20090915	Comparative high-speed profiling of carboxylic acid metabolite levels by differential isotope-coded MALDI mass spectrometry	Analytical chemistry
18092836	20080201	Microcalorimetric investigation of DNA, poly(dA)poly(dT) and poly[d(A-C)]poly[d(G-T)] melting in the presence of water soluble (meso tetra (4 N oxyethylpyridyl) porphyrin) and its Zn complex	Journal of biomolecular structure & dynamics
17610229	20070101	An electrostatic gauche effect in beta-fluoro- and beta-hydroxy-N-ethylpyridinium cations	Angewandte Chemie (International ed. in English)

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Related Functional Groups

Pyridines

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[942206-23-7]
2,5-Dichloro-3-iodopyridine
[4926-28-7]
2-Bromo-4-methylpyridine
[643762-61-2]
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[1222533-88-1]
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	55.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.99966
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	3.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0