Isovaleronitrile - ≥98%(GC) , CAS No.625-28-5

CAS: 625-28-5 Cat. No.: I137312 분자식: C₅H₉N 분자량: 83.13 EC 번호: 210-884-1

GRADE & PURITY ≥98%(GC)

Synonyms

Q24763442 | InChI=1/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H | NCGC00258082-01 | Isopentanenitrile | NCGC00248677-01 | 3-Methylbutanonitrile | DTXSID0021620 | A833827 | F0001-1677 | UNII-N2G72X091L | I0292 | CHEBI:180667 | iso-C4H9CN | AKOS000200377 | BRN 1734239

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

개요

Usually used in the synthesis of a new type of nitrilase, arylacetonitrilase by Alcaligenes faecalis JM3 cells.

Isovaleronitrile induced Rhodococcus ATCC 39484 produced a nitrilase

Specifications

동의어

Q24763442 | InChI=1/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H | NCGC00258082-01 | Isopentanenitrile | NCGC00248677-01 | 3-Methylbutanonitrile | DTXSID0021620 | A833827 | F0001-1677 | UNII-N2G72X091L | I0292 | CHEBI:180667 | iso-C4H9CN | AKOS000200377 | BRN 1734239

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice,FedEx DG Service

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순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488181593

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181593

정식 스마일

CC(C)CC#N

IUPAC Name

3-methylbutanenitrile

InChIKey

QHDRKFYEGYYIIK-UHFFFAOYSA-N

INCHI

1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3

이성체 SMILES

CC(C)CC#N

WGK 독일

3

RTECS

NY1750000

분자량

83.13

Reaxy-Rn

1734239

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734239&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 acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic 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

• 굴절률: 1.39
• 발화점(°F): 82.4 °F
• 발화점(°C): 28°C(lit.)
• 끓는점(°C): 130 °C
• 녹는점(°C): -101 °C
• 분자량: 83.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 83.0735 Da
• Monoisotopic Mass: 83.0735 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 65.300
• 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, 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.

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 625-28-5, the molecular formula is C5H9N, and the molecular weight is 83.13 g/mol. InChIKey QHDRKFYEGYYIIK-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.