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4-Azidophenylisothiocyanate , CAS No.74261-65-7

4-Azidophenylisothiocyanate , CAS No.74261-65-7

Name: 4-Azidophenylisothiocyanate , CAS No.74261-65-7
SKU: A1334123
Availability: InStock

CAS: 74261-65-7 Cat. No.: A1334123 Fórmula: N₃C₆H₄NCS Peso molecular: 176.2 Número EC: 634-765-2 PubChem CID: 194577

COA

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Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1N=C=S)N=[N+]=[N-]

IUPAC Name

1-azido-4-isothiocyanatobenzene

InChIKey

XMPGXADJZXSISQ-UHFFFAOYSA-N

INCHI

1S/C7H4N4S/c8-11-10-7-3-1-6(2-4-7)9-5-12/h1-4H

Isómeros SMILES

C1=CC(=CC=C1N=C=S)N=[N+]=[N-]

WGK Alemania

PubChem CID

194577

Peso molecular

176.2

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Clase Benzene and substituted derivatives
    - Subclass Phenylazides

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Phenylazides
Intermediate Tree Nodes	Not available
Direct Parent	Phenylazides
Alternative Parents	Isothiocyanates Azo imides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylazide - Isothiocyanate - Azo imide - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as phenylazides. These are compounds containing a phenylazide moiety, which consists of a linear azide substituent attached to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	176.200 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	176.016 Da
Monoisotopic Mass	176.016 Da
Topological Polar Surface Area	58.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	232.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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