4-Nitroindole-3-carboxaldehyde - ≥97% , CAS No.10553-11-4

CAS: 10553-11-4 Cat. No.: N165679 Formula: C₉H₆N₂O₃ Peso molecolare: 190.16 Numero EC: 622-898-9

GRADE & PURITY ≥97%

Synonyms

J-001442 | SY342711 | A1-00254 | 4-Nitroindole-3-carboxaldehyde | MFCD04973979 | DTXSID90455000 | SCHEMBL3208591 | 4-nitro-1H-indole-3-carbaldehyde | 4-nitroindole-3-carbaldehyde | Z1217187420 | J-515861 | AKOS005258824 | AS-38880 | 3,4-Dimethoxyflavone |

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Product Application:

reactant in synthesis of tryptophan dioxygenase inhibitors as potential anticancer immunomodulators

reactant in synthesis of structural analogs of thaxtomin

reactant in preparation of chromophores related to gold fluorescent protein

reactant in preparation of brassinin and gramine derivatives

Specifications

Sinonimi

J-001442 | SY342711 | A1-00254 | 4-Nitroindole-3-carboxaldehyde | MFCD04973979 | DTXSID90455000 | SCHEMBL3208591 | 4-nitro-1H-indole-3-carbaldehyde | 4-nitroindole-3-carbaldehyde | Z1217187420 | J-515861 | AKOS005258824 | AS-38880 | 3,4-Dimethoxyflavone |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488197159

Sorrisi canonici

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)C=O

IUPAC Name

4-nitro-1H-indole-3-carbaldehyde

InChIKey

CGXVTWQTGQAMMX-UHFFFAOYSA-N

INCHI

1S/C9H6N2O3/c12-5-6-4-10-7-2-1-3-8(9(6)7)11(13)14/h1-5,10H

Isomeri SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)C=O

WGK Germania

3

Peso molecolare

190.16

Reaxy-Rn

1530693

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1530693&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: Nitroaromatic compounds Aryl-aldehydes Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Nitroaromatic compound - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Aldehyde - Organic cation - 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: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Punto di fusione (°C): 189-193 °C
• Peso molecolare: 190.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.038 Da
• Monoisotopic Mass: 190.038 Da
• Topological Polar Surface Area: 78.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251.000
• 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

Domande frequenti

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 is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10553-11-4, the molecular formula is C9H6N2O3, and the molecular weight is 190.16 g/mol. InChIKey CGXVTWQTGQAMMX-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.