3,5-Dibromobenzonitrile - ≥98%(GC) , CAS No.97165-77-0

CAS: 97165-77-0 Cat. No.: D404183 Formula: C₇H₃Br₂N Peso molecolare: 260.92 Numero EC: 806-988-7

GRADE & PURITY ≥98%(GC)

Synonyms

PS-7363 | TD1139 | Benzonitrile, 3,5-dibromo- | D5049 | Maybridge1_007794 | SY032188 | Z1269138219 | MFCD00178770 | AKOS005259306 | AM20050019 | EN300-221297 | 3,5-dibromobenzonitrile | 3,5-dibromo-benzonitrile | DTXSID80383944 | SCHEMBL200313 | AC-28542

Storage

Room temperature

Specifications

Sinonimi

PS-7363 | TD1139 | Benzonitrile, 3,5-dibromo- | D5049 | Maybridge1_007794 | SY032188 | Z1269138219 | MFCD00178770 | AKOS005259306 | AM20050019 | EN300-221297 | 3,5-dibromobenzonitrile | 3,5-dibromo-benzonitrile | DTXSID80383944 | SCHEMBL200313 | AC-28542

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488194032

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194032

Sorrisi canonici

C1=C(C=C(C=C1Br)Br)C#N

IUPAC Name

3,5-dibromobenzonitrile

InChIKey

QUJGDNCWTBTBQD-UHFFFAOYSA-N

INCHI

1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Isomeri SMILES

C1=C(C=C(C=C1Br)Br)C#N

Numero UN

3439

Gruppo di imballaggio

III

Peso molecolare

260.92

Reaxy-Rn

2638495

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2638495&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Bromobenzenes Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 100 °C
• Peso molecolare: 260.910 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 260.861 Da
• Monoisotopic Mass: 258.863 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 150.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 97165-77-0, the molecular formula is C7H3Br2N, and the molecular weight is 260.92 g/mol. InChIKey QUJGDNCWTBTBQD-UHFFFAOYSA-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.