Benzene-d - CP, ≥99%,≥97atom%D , CAS No.1120-89-4

CAS: 1120-89-4 Cat. No.: B468516 Fórmula: C₆H₅D Peso molecular: 79.12 Número EC: 214-321-0

GRADE & PURITY CP, ≥99%,≥97 atom% D

Synonyms

D98570 | EINECS 214-321-0 | deuterobenzene | Benzene-d | (?H)benzene | DTXSID50149812 | Benzene-d1 | deuteriobenzene | (2H)Benzene | Benzene-d, 97 atom % D, 99% (CP) | Monodeuteriobenzene

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Environmental Analysis, Synthetic Intermediates

Specifications

Sinónimos

D98570 | EINECS 214-321-0 | deuterobenzene | Benzene-d | (?H)benzene | DTXSID50149812 | Benzene-d1 | deuteriobenzene | (2H)Benzene | Benzene-d, 97 atom % D, 99% (CP) | Monodeuteriobenzene

Especificaciones y pureza

CP, ≥99%,≥97atom%D

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Grado

CP

Pureza

≥99%,≥97 atom% D

Nombres e identificadores

• Sonrisas canónicas: [2H]c1ccccc1
• IUPAC Name: deuteriobenzene
• InChIKey: UHOVQNZJYSORNB-MICDWDOJSA-N
• INCHI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D
• Isómeros SMILES: [2H]C1=CC=CC=C1
• CAS alternativo: 71-43-2（unlabeled）
• Peso molecular: 79.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This 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: Not available

Data sources

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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• Índice de refracción: n20/D 1.498 (lit.)
• Punto de ebullición (°C): 80 °C
• Punto de fusión (°C): 5.5 °C
• Peso molecular: 79.120 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 79.0532 Da
• Monoisotopic Mass: 79.0532 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 15.500
• Isotope Atom Count: 1
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). This product is isotopically enriched to ≥97 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

What does CP mean?

CP is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. CP is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1120-89-4, the molecular formula is C6H5D, and the molecular weight is 79.12 g/mol. InChIKey UHOVQNZJYSORNB-MICDWDOJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.