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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 Formule: N₃C₆H₄NCS Poids moléculaire: 176.2 Numéro CE: 634-765-2 PubChem CID: 194577

COA

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DISPONIBLE À COMMANDE

Storage

Room temperature

Shipped In

Normal

Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Calculateurs de solution Avis

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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.

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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.

Specifications

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

PubChem CID

194577

Poids moléculaire

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.

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

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

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	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
Description	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

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	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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