Benzalkonium chloride - ≥95% , CAS No.63449-41-2

CAS: 63449-41-2 Cat. No.: B1527866 Fórmula: C6H5CH2N(CH3)2RCl (R=C8H17 to C18H37) Beilstein Registry Number: 4062599 Número CE: 264-151-6
Disponível para encomenda
GRADE & PURITY ≥95%
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
25g
B1527866-25g
Sob encomenda · 8–12 semanas
12,06€
100g
B1527866-100g
Sob encomenda · 8–12 semanas
33,76€
500g
B1527866-500g
Sob encomenda · 8–12 semanas
97,97€
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 47 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

Benzalkonium chloride is a cationic detergent that is a member of quaternary ammonium compounds (QACs).
Benzalkonium chloride has been used in a study to assess its action on epithelia conjunctival cells in vitro. 1 It has also been used in a study to investigate its effects on living rabbit cornea by in vivo Tandem scanning confocal microscopy.

Specifications

Especificações e pureza
≥95%
Condições de armazenamento de armazenamento
Protected from light,Room temperature,Argon charged
Enviado em
Normal
Pureza
≥95%
Nomes e identificadores
Sorrisos canónicos
CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
IUPAC Name
benzyl-decyl-dimethylazanium;chloride
InChIKey
TTZLKXKJIMOHHG-UHFFFAOYSA-M
INCHI
1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
SMILES isoméricas
CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
WGK Alemanha
2
CAS alternativo
8001-54-5
Número UN
3267
Grupo de embalagem
I
Beilstein
4062599
Reaxy-Rn
3578562
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3578562&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassAlkyldimethylbenzylammonium halides
Intermediate Tree Nodes Not available
Direct ParentAlkyldimethylbenzylammonium chlorides
Alternative Parents Phenylmethylamines  Benzylamines  Aralkylamines  Tetraalkylammonium salts  Organopnictogen compounds  Organic chloride salts  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyldimethylbenzylammonium chloride - Phenylmethylamine - Benzylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium chlorides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a chlorine ion and have the general structure R1[N+](CH3)(CH3)R2.[Cl-], where R1 = benzyl group and R2 = alkyl chain.
External Descriptors Not available
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SensibilidadeLight sensitive.Moisture sensitive.
Peso molecular311.900 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass311.238 Da
Monoisotopic Mass311.238 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity216.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Citations of This Product
Calculadoras de soluções
Revisões

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