Isotiocianato di benzile - ≥98%(GC) , CAS No.622-78-6

CAS: 622-78-6 Cat. No.: B140288 Formula: C8H7NS Peso molecolare: 149.21 Beilstein Registry Number: 386135 Numero EC: 210-753-9
Disponibile su ordine
GRADE & PURITY ≥98%(GC)
Synonyms
Estere benzilico dell'acido isotiocianico
Storage
Conservare a 2-8°C, con carica di argon
Shipped In
Ghiaccio umido
★
Size
Germania (EU)
USA*
Price
Qty
25g
B140288-25g
—
1 Disponibile

59,79€

90,16€
Salva 30,37 € (33.69%)
5g
B140288-5g
—
3 Disponibile

21,61€

32,89€
Salva 11,28 € (34.30%)
100g
B140288-100g
Su ordinazione · 8–12 settimane

191,68€

288,00€
Salva 96,32 € (33.44%)
500g
B140288-500g
—
1 Disponibile

717,53€

1.076,78€
Salva 359,24 € (33.36%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Conservare a 2-8°C, con carica di argon Ships Ghiaccio umido Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

L'isotiocianato di benzile è un componente naturale delle verdure crucifere. Ha proprietà antibatteriche ed è stato studiato il suo metabolismo nell'uomo. Inibisce il cancro indotto chimicamente in modelli animali
L'isotiocianato di benzile è stato utilizzato nella preparazione di S-(N-benziltiocarbamoil)-L-glutatione e S-(N-benziltiocarbamoil)-L-cisteina.

Specifications

Sinonimi
Estere benzilico dell'acido isotiocianico
Specifiche e purezza
≥98%(GC)
Meccanismi biochimici e fisiologici
Agente antiproliferativo e apoptotico. Inibisce il legame di NF-κB al DNA. Sopprime l'accumulo di lipidi e l'infiltrazione di macrofagi nei tessuti tumorali. Mostra effetti antiossidanti e antitumorali in vivo. Attivo per via orale.
Condizioni di conservazione di stoccaggio
Conservare a 2-8°C, con carica di argon
Spedito in
Ghiaccio umido
Nota
Per quanto possibile, si consiglia di preparare e utilizzare le soluzioni lo stesso giorno. Tuttavia, se è necessario preparare in anticipo le soluzioni di riserva, si consiglia di conservarle in aliquote in fiale ben chiuse a -20°C. In genere, queste possono essere utilizzate per un mese. In genere, queste soluzioni sono utilizzabili fino a un mese. Prima dell'uso e dell'apertura della fiala, si consiglia di lasciare che il prodotto si equilibri a temperatura ambiente per almeno 1 ora. Avete bisogno di ulteriori consigli su solubilità, uso e manipolazione? Per ulteriori informazioni, visitare la pagina delle domande frequenti (FAQ).
Purezza
≥98%(GC)
Nomi e identificatori
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508813504
Sorrisi canonici
C1=CC=C(C=C1)CN=C=S
IUPAC Name
isothiocyanatomethylbenzene
InChIKey
MDKCFLQDBWCQCV-UHFFFAOYSA-N
INCHI
1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
Isomeri SMILES
C1=CC=C(C=C1)CN=C=S
WGK Germania
3
RTECS
NX8250000
Peso molecolare
149.21
Beilstein
386135
Reaxy-Rn
386135
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386135&ln=

Documentazione

📋 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
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Isothiocyanates  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic benzene moiety - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors a small molecule
Struttura 3D
Modello di struttura chimica interattiva





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Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

15 results found

Lot NumberCertificate TypeDataOggetto
D2410175Certificate of AnalysisMar 09, 2024 B140288
D2410179Certificate of AnalysisMar 09, 2024 B140288
C2412115Certificate of AnalysisMar 04, 2024 B140288
C2412116Certificate of AnalysisMar 04, 2024 B140288
C2412117Certificate of AnalysisMar 04, 2024 B140288
C2412118Certificate of AnalysisMar 04, 2024 B140288
C2412119Certificate of AnalysisMar 04, 2024 B140288
C2412120Certificate of AnalysisMar 04, 2024 B140288
E2523074Certificate of AnalysisMar 04, 2024 B140288
C2328168Certificate of AnalysisJun 06, 2022 B140288
F2221296Certificate of AnalysisJun 06, 2022 B140288
F2221459Certificate of AnalysisJun 06, 2022 B140288
F2221460Certificate of AnalysisJun 06, 2022 B140288
F2221461Certificate of AnalysisJun 06, 2022 B140288
G2305168Certificate of AnalysisJun 06, 2022 B140288
Proprietà chimiche e fisiche
SolubilitàHydrolyzes in water.
SensibilitàLight & Moisture Sensitive.
Indice di rifrazione1.6020-1.6050
Punto di infiammabilità (°F)>230 °F
Punto di infiammabilità (°C)>110 °C
Punto di ebollizione (°C)242-243 °C
Peso molecolare149.210 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass149.03 Da
Monoisotopic Mass149.03 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity132.000
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 Count1
Domande frequenti e articoli
Citations of This Product
Calcolatori di soluzioni
Recensioni

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