3-Ethylbenzonitrile - ≥97% , CAS No.34136-57-7

CAS: 34136-57-7 Cat. No.: E192845 분자식: C₉H₉N 분자량: 131.17

GRADE & PURITY ≥97%

Synonyms

Benzonitrile, 3-ethyl- | Q27271449 | m-Ethylbenzonitrile | UNII-920IKI3200 | 920IKI3200 | NCIOpen2_001143 | AKOS006227625 | MFCD00045601 | FT-0639160 | SCHEMBL126485 | DS-1818 | EN300-329581 | DTXSID90187718 | NSC 86573 | 3-Aethylbenzonitril | NSC86573 |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

Benzonitrile, 3-ethyl- | Q27271449 | m-Ethylbenzonitrile | UNII-920IKI3200 | 920IKI3200 | NCIOpen2_001143 | AKOS006227625 | MFCD00045601 | FT-0639160 | SCHEMBL126485 | DS-1818 | EN300-329581 | DTXSID90187718 | NSC 86573 | 3-Aethylbenzonitril | NSC86573 |

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: CCC1=CC(=CC=C1)C#N
• IUPAC Name: 3-ethylbenzonitrile
• InChIKey: WEDBHNMGFLTQNC-UHFFFAOYSA-N
• INCHI: 1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3
• 이성체 SMILES: CCC1=CC(=CC=C1)C#N
• 분자량: 131.17
• Reaxy-Rn: 2431686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2431686&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 감도: light & Moisture sensitive
• 분자량: 131.170 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 131.073 Da
• Monoisotopic Mass: 131.073 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 142.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, 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 chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 34136-57-7, the molecular formula is C9H9N, and the molecular weight is 131.17 g/mol. InChIKey WEDBHNMGFLTQNC-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.