3-Chloropropionitrile solution - 1000μg/ml,in Purge and Trap Methanol , CAS No.542-76-7

CAS: 542-76-7 Cat. No.: C141146 分子式: C₃H₄ClN 分子量: 89.52 EC番号: 208-827-0

GRADE & PURITY 1000μg/ml,in Purge and Trap Methanol

Synonyms

3-Chloropropionitrile|3-Chloropropanenitrile|542-76-7|3-Chloropropiononitrile|Propanenitrile, 3-chloro-|1-Chloro-2-cyanoethane|3-CHLOROPROPANONITRILE|Propionitrile, 3-chloro-|3-Chlorpropannitril|beta-Chloropropionitrile|USAF A-8798|RCRA waste number P027|

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

同義語

3-Chloropropionitrile | 3-Chloropropanenitrile | 542-76-7 | 3-Chloropropiononitrile | Propanenitrile, 3-chloro- | 1-Chloro-2-cyanoethane | 3-CHLOROPROPANONITRILE | Propionitrile, 3-chloro- | 3-Chlorpropannitril | beta-Chloropropionitrile | USAF A-8798 | RCRA waste number P027 |

仕様と純度

1000μg/ml,in Purge and Trap Methanol

保管条件

Store at -20°C

入荷

Ice chest + Ice pads,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528758753
• カノニカル・スマイル: C(CCl)C#N
• IUPAC Name: 3-chloropropanenitrile
• InChIKey: GNHMRTZZNHZDDM-UHFFFAOYSA-N
• INCHI: 1S/C3H4ClN/c4-2-1-3-5/h1-2H2
• 異性体SMILES: C(CCl)C#N
• UN番号: 3276
• 包装グループ: I
• 分子量: 89.52
• Reaxy-Rn: 1098454
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098454&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 説明: 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

関連ターゲット（人間）

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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関連ターゲット（非人間）

Cruzipain (33337 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.44
• 引火点（°C）: 83°C
• 沸点（°C）: 176 °C
• 分子量: 89.520 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 89.0032 Da
• Monoisotopic Mass: 89.0032 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 51.200
• 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