5-Nitrovanillin - ≥98% , CAS No.6635-20-7

CAS: 6635-20-7 Cat. No.: N122968 Fórmula: C₈H₇NO₅ Peso molecular: 197.14 Beilstein Registry Number: 1973746 Número EC: 229-633-2

CALIDAD & PUREZA ≥98%

Synonyms

5-nitrovanilline|3-methoxy-4-hydroxy-5-nitrobenzaldehyde|4-Hydroxy-3-methoxy-5-nitrobenzaldehyde #|5-nitro vanillin|5-Nitrovanillin|(1R-(1alpha,2beta,5alpha))-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol|(-)-DIETHYL-D-TARTRATE|4-Hydroxy-3-methoxy-5-nitrobenzaldehyde|4-hydroxy-3-methoxy-5-nitro-benzaldehyde|3-Methoxy-4-hydroxy-5-nitrobenzaldhyde|(8R,8'R,9S)-cubebin|Vanillin, 5-nitro-|4-hydroxy-3-nitro-5-methoxybenzaldehyde|1-Phenyl-1-(trimethylsiloxy)ethylene|glyceryl 1-monopropionate|4-hydroxy-5-methoxy-3-nitrobenzaldehyde|5-NITRO-4-HYDROXY-3-METHOXYBENZALDEHYDE|2,2-dimethyl-3-aminopropanol|3-nitro-4-hydroxy-5-methoxybenzaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

5-nitrovanilline | 3-methoxy-4-hydroxy-5-nitrobenzaldehyde | 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde # | 5-nitro vanillin | 5-Nitrovanillin | (1R-(1alpha,2beta,5alpha))-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol | (-)-DIETHYL-D-TARTRATE | 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde | 4-hydroxy-3-methoxy-5-nitro-benzaldehyde | 3-Methoxy-4-hy Show more

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488185932

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185932

Sonrisas canónicas

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O

IUPAC Name

4-hydroxy-3-methoxy-5-nitrobenzaldehyde

InChIKey

ZEHYRTJBFMZHCY-UHFFFAOYSA-N

INCHI

1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3

Isómeros SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O

WGK Alemania

3

Peso molecular

197.14

Beilstein

1973746

Reaxy-Rn

1973746

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1973746&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Nitrobenzaldehydes Methoxyphenols Nitrophenols Hydroxybenzaldehydes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Nitrobenzaldehyde - Nitrophenol - Methoxyphenol - Hydroxybenzaldehyde - Methoxyaniline - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Benzaldehyde - Phenol - Aryl-aldehyde - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Aldehyde - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• External Descriptors: C-nitro compound - phenols - benzaldehydes

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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): 206.6 °F
• Punto de inflamación (°C): 97 °C
• Punto de fusión (°C): 176°C
• Peso molecular: 197.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.032 Da
• Monoisotopic Mass: 197.032 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 226.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 6635-20-7, the molecular formula is C8H7NO5, and the molecular weight is 197.14 g/mol. InChIKey ZEHYRTJBFMZHCY-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.