Benzonitrile - CP, ≥98.5% , CAS No.100-47-0

CAS: 100-47-0 Cat. No.: B104457 Formula: C7H5N Peso molecolare: 103.12 Beilstein Registry Number: 506893 Numero EC: 202-855-7
Disponibile su ordine
GRADE & PURITY CP ? Chemically Pure grade — moderate purity above technical grade but below analytical. Use for general lab reactions where ultra-low impurities aren't critical. ≥98.5%
Synonyms
BENZONITRILE|100-47-0|Cyanobenzene|Phenyl cyanide|Benzenenitrile|Benzoic acid nitrile|Benzene, cyano-|Benzenecarbonitrile|Phenylcyanide|Fenylkyanid|benzonitril|Fenylkyanid [Czech]|NSC 8039|HSDB 45|CCRIS 3184|AI3-24184|UNII-9V9APP5H5S|EINECS 202-855-7|9V9A
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
★
Size
Germania (EU)
USA*
Price
Qty
100ml
B104457-100ml
—
2 Disponibile

9,46€

12,06€
Salva 2,60 € (21.58%)
500ml
B104457-500ml
Su ordinazione · 8–12 settimane

19,87€

27,68€
Salva 7,81 € (28.21%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

CP, ≥98.5% CP for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated Ships FedEx DG Service 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 22 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
BENZONITRILE | 100-47-0 | Cyanobenzene | Phenyl cyanide | Benzenenitrile | Benzoic acid nitrile | Benzene, cyano- | Benzenecarbonitrile | Phenylcyanide | Fenylkyanid | benzonitril | Fenylkyanid [Czech] | NSC 8039 | HSDB 45 | CCRIS 3184 | AI3-24184 | UNII-9V9APP5H5S | EINECS 202-855-7 | 9V9A
Specifiche e purezza
CP, ≥98.5%
Condizioni di conservazione di stoccaggio
Room temperature,Desiccated
Spedito in
FedEx DG Service
Grado
CP
Purezza
≥98.5%
Nomi e identificatori
Pubchem Sid
Sorrisi canonici
C1=CC=C(C=C1)C#N
IUPAC Name
benzonitrile
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
INCHI
1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
Isomeri SMILES
C1=CC=C(C=C1)C#N
WGK Germania
2
RTECS
DI2450000
Numero UN
2224
Gruppo di imballaggio
II
Peso molecolare
103.12
Beilstein
506893
Reaxy-Rn
506893
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506893&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
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors nitrile - benzenes
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALB Tchem Serum albumin (2651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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.

8 results found

Lot NumberCertificate TypeDataOggetto
G2110200Certificate of AnalysisSep 21, 2026 B104457
G2110201Certificate of AnalysisSep 21, 2026 B104457
G2602161Certificate of AnalysisJul 07, 2026 B104457
G2602162Certificate of AnalysisJul 07, 2026 B104457
J2415344Certificate of AnalysisOct 23, 2024 B104457
J2415345Certificate of AnalysisOct 23, 2024 B104457
L2023027Certificate of AnalysisJul 12, 2024 B104457
L2023028Certificate of AnalysisOct 18, 2022 B104457
Proprietà chimiche e fisiche
SolubilitàSlightly soluble in cold water, soluble in hot water, easily soluble in ethanol and ether.
Indice di rifrazione1.5289
Punto di infiammabilità (°F)158 °F
Punto di infiammabilità (°C)71℃
Punto di ebollizione (°C)190.7°C
Punto di fusione (°C)-12.75°C
Peso molecolare103.120 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass103.042 Da
Monoisotopic Mass103.042 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count8
Formal Charge0
Complexity103.000
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

Recensioni dei clienti

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