cyclobutanecarbonitrile - ≥97% , CAS No.4426-11-3

CAS: 4426-11-3 Cat. No.: C479085 분자식: C₅H₇N 분자량: 81.12 Beilstein Registry Number: 2037573 EC 번호: 224-606-1

GRADE & PURITY ≥97%

Synonyms

cyclobutanecarbonitrile, AldrichCPR | Cyclobutanecarbonitrile | Cyanocyclobutane;Cyclobutanecarbonitrile | Z406694072 | BCP21734 | STL554602 | AKOS009158004 | BBL100808 | cyclobutane carbonitrile | EINECS 224-606-1 | Cyclobutyl cyanide | cyclobutancarboni

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

cyclobutanecarbonitrile, AldrichCPR | Cyclobutanecarbonitrile | Cyanocyclobutane;Cyclobutanecarbonitrile | Z406694072 | BCP21734 | STL554602 | AKOS009158004 | BBL100808 | cyclobutane carbonitrile | EINECS 224-606-1 | Cyclobutyl cyanide | cyclobutancarboni

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 488185523
• 정식 스마일: C1CC(C1)C#N
• IUPAC Name: cyclobutanecarbonitrile
• InChIKey: GFBLFDSCAKHHGX-UHFFFAOYSA-N
• INCHI: 1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2
• 이성체 SMILES: C1CC(C1)C#N
• UN 번호: 2811
• 포장 그룹: III
• 분자량: 81.12
• Beilstein: 2037573
• Reaxy-Rn: 2037573
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2037573&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

• 용해성: Slightly soluble in water
• 굴절률: 1.4325
• 끓는점(°C): 144-146℃
• 분자량: 81.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 81.0578 Da
• Monoisotopic Mass: 81.0578 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 83.400
• 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. Refrigerated storage is required to maintain the specified shelf life.

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 4426-11-3, the molecular formula is C5H7N, and the molecular weight is 81.12 g/mol. InChIKey GFBLFDSCAKHHGX-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.