3-Nitrocarbazole - ≥95% , CAS No.3077-85-8

CAS: 3077-85-8 Cat. No.: N357592 Formula: C₁₂H₈N₂O₂ Peso molecolare: 212.20 Numero EC: 221-367-5

GRADE & PURITY ≥95%

Synonyms

3-Nitro-9H-carbazole | J-018134 | 8-Hydroxynaphthalene-1-sulfonic acid sultone | InChI=1/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13 | INF-51 | 4-Acetoaminoantipyrine | SY094029 | CBDivE_001994 | NSC-81463 | BRN 0185812 | DTXSID901847

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

3-Nitro-9H-carbazole | J-018134 | 8-Hydroxynaphthalene-1-sulfonic acid sultone | InChI=1/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13 | INF-51 | 4-Acetoaminoantipyrine | SY094029 | CBDivE_001994 | NSC-81463 | BRN 0185812 | DTXSID901847

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528759144

Sorrisi canonici

C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

IUPAC Name

3-nitro-9H-carbazole

InChIKey

ZYNHZTIMNJKVLK-UHFFFAOYSA-N

INCHI

1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H

Isomeri SMILES

C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

Peso molecolare

212.20

Reaxy-Rn

185812

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=185812&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indoles Nitroaromatic compounds Benzenoids Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Nitroaromatic compound - Benzenoid - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 214-216° C
• Peso molecolare: 212.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.059 Da
• Monoisotopic Mass: 212.059 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 289.000
• 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