Benzoylisocyanate - technical grade, ≥90% , CAS No.4461-33-0

CAS: 4461-33-0 Cat. No.: B477026 Formula: C8H5NO2 Peso molecolare: 147.13 Beilstein Registry Number: 878595 Numero EC: 224-717-5
Disponibile su ordine
GRADE & PURITY Technical grade ? Technical grade — industrial-quality purity with no tight impurity guarantees. Use for large-scale or non-critical processes where cost matters most. ≥90%
Synonyms
FT-0622743 | A826636 | AKOS000160997 | BENZOIC ACID, ANHYDRIDE WITH ISOCYANIC ACID | Methanone, 1-phenyl-1-isocyanato- | Benzoyl isocyanate, technical grade, 90% | EINECS 224-717-5 | DTXSID90196249 | benzoyl isocynate | RW47ZKR2X7 | PhCONCO | Benzoylisocy
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Size
Germania (EU)
USA*
Price
Qty
1g
B477026-1g
Su ordinazione · 8–12 settimane
43,30€
5g
B477026-5g
Su ordinazione · 8–12 settimane
138,75€
Enter a quantity for the sizes you want to add.
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Why this grade

technical grade, ≥90% Grado tecnico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

The reaction mechanism of benzoyl isocyanate with 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene was studied.

Specifications

Sinonimi
FT-0622743 | A826636 | AKOS000160997 | BENZOIC ACID, ANHYDRIDE WITH ISOCYANIC ACID | Methanone, 1-phenyl-1-isocyanato- | Benzoyl isocyanate, technical grade, 90% | EINECS 224-717-5 | DTXSID90196249 | benzoyl isocynate | RW47ZKR2X7 | PhCONCO | Benzoylisocy
Specifiche e purezza
technical grade, ≥90%
Condizioni di conservazione di stoccaggio
Store at -20°C,Argon charged
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Grado
Grado tecnico
Purezza
≥90%
Nomi e identificatori
Sorrisi canoniciC1=CC=C(C=C1)C(=O)N=C=O
IUPAC Namebenzoyl isocyanate
InChIKeyLURYMYITPCOQAU-UHFFFAOYSA-N
INCHI1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
Isomeri SMILES C1=CC=C(C=C1)C(=O)N=C=O
WGK Germania 3
Numero UN 2206
Gruppo di imballaggio III
Peso molecolare 147.13
Beilstein 878595
Reaxy-Rn 878595
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878595&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
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids and derivatives
Alternative Parents Benzoyl derivatives  Isocyanates  Propargyl-type 1,3-dipolar organic compounds  Carboxylic acids and derivatives  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoic acid or derivatives - Benzoyl - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Indice di rifrazionen20D1.55 (lit.)
Punto di ebollizione (°C)94-96° C (lit.) at 21 mmHg
Punto di fusione (°C)82.52° C (Predicted)
Peso molecolare147.130 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass147.032 Da
Monoisotopic Mass147.032 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count11
Formal Charge0
Complexity188.000
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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

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