Indole - CP, ≥98% , CAS No.120-72-9

CAS: 120-72-9 Cat. No.: I104725 Formula: C₈H₇N Peso molecolare: 117.15 Beilstein Registry Number: 107693 Numero EC: 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

Sinonimi

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

Specifiche e purezza

CP, ≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

CP

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508812935
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C2C(=C1)C=CN2
• WGK Germania: 1
• RTECS: NL2450000
• Numero UN: 2811
• Gruppo di imballaggio: III
• Peso molecolare: 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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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U-251 (51189 Activities)

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U-87 MG (3946 Activities)

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A549 (127892 Activities)

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NCI-H292 (733 Activities)

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CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)

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GSK3A Tclin Glycogen synthase kinase-3 (736 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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PYGM Glycogen phosphorylase, muscle form (1331 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.609
• Punto di infiammabilità (°F): 249°F
• Punto di infiammabilità (°C): 121°C
• Punto di ebollizione (°C): 254°C
• Punto di fusione (°C): 52.5°C
• Peso molecolare: 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