1-Butylpyridinium Bromide - CAS 874-80-6

Catalog:	BB038485
Product Name:	1-Butylpyridinium Bromide
CAS:	874-80-6
Synonyms:	1-butylpyridin-1-ium;bromide; 1-butylpyridin-1-ium;bromide

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Computed Properties

IUPAC Name:	1-butylpyridin-1-ium;bromide
Description:	1-Butylpyridinium Bromide (CAS# 874-80-6) is a useful research chemical.
Molecular Weight:	216.12
Molecular Formula:	C9H14BrN
Canonical SMILES:	CCCC[N+]1=CC=CC=C1.[Br-]
InChI:	InChI=1S/C9H14N.BrH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChI Key:	KVBQNFMTEUEOCD-UHFFFAOYSA-M
Melting Point:	104 °C
Flash Point:	Not applicable
Purity:	≥ 99.0 %
Appearance:	White to almost white powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00671496
LogP:	-1.22180
Refractive Index:	n20/D 1.4

Publication Number	Title	Priority Date
CN-113244792-A	Composite membrane and preparation method and application thereof	20210622
CN-113244792-B	Composite membrane and preparation method and application thereof	20210622
CN-113121418-A	Preparation method of 1, 4-dihydropyridine-3, 5-dimethylamide compound	20210407
JP-2021080483-A	Complex	20210304
CN-112206822-A	Composite carrier catalyst for preparing acetoxy propyl alkoxy silane and preparation method thereof	20201016

PMID	Publication Date	Title	Journal
21108009	20110601	A novel direct equipartition ray design (EquRay) procedure for toxicity interaction between ionic liquid and dichlorvos	Environmental science and pollution research international
19520508	20091030	Effect of ionic liquid on the toxicity of pesticide to Vibrio-qinghaiensis sp.-Q67	Journal of hazardous materials

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GHS Hazard Statement:	H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Danger

Complexity:	74.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.03096
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.03096
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0