Indole - CP, ≥98% , CAS No.120-72-9

CAS: 120-72-9 Cat. No.: I104725 分子式: C₈H₇N 分子量: 117.15 Beilstein Registry Number: 107693 EC番号: 204-420-7

GRADE & PURITY CP, ≥98%

Synonyms

Indole (white flake) | Indole, puriss., >=98.5% (GC) | I-0800 | SCHEMBL698 | SR-01000944736 | AMY3411 | BBL011739 | CCRIS 4421 | DB04532 | Tox21_302937 | BIDD:GT0304 | HSDB 599 | Indole 100 microg/mL in Acetonitrile | 1H-Benzo[b]pyrrole | INDOLE BENZO-P

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Indole (white flake) | Indole, puriss., >=98.5% (GC) | I-0800 | SCHEMBL698 | SR-01000944736 | AMY3411 | BBL011739 | CCRIS 4421 | DB04532 | Tox21_302937 | BIDD:GT0304 | HSDB 599 | Indole 100 microg/mL in Acetonitrile | 1H-Benzo[b]pyrrole | INDOLE BENZO-P

仕様と純度

CP, ≥98%

保管条件

Room temperature

入荷

Normal

等級

CP

純度

≥98%

名前と識別子

• パブケム・シド: 508812935
• カノニカル・スマイル: C1=CC=C2C(=C1)C=CN2
• IUPAC Name: 1H-indole
• InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
• INCHI: 1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
• 異性体SMILES: C1=CC=C2C(=C1)C=CN2
• WGKドイツ: 1
• RTECS: NL2450000
• UN番号: 2811
• 包装グループ: III
• 分子量: 117.15
• Beilstein: 107693
• Reaxy-Rn: 107693
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107693&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: an indole

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

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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 屈折率: 1.609
• 引火点（°F）: 249°F
• 引火点（°C）: 121°C
• 沸点（°C）: 254°C
• 融点（°C）: 52.5°C
• 分子量: 117.150 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 117.058 Da
• Monoisotopic Mass: 117.058 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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