3,4,5-Trimethoxybenzonitrile - ≥97% , CAS No.1885-35-4

CAS: 1885-35-4 Cat. No.: W132687 Formula: (CH₃O)₃C₆H₂CN Peso molecolare: 193.2 Numero EC: 217-550-4 PubChem CID: 15892

GRADE & PURITY ≥97%

Synonyms

2,5-Trimethoxybenzonitrile | EINECS 217-550-4 | SY048584 | 3,4,5-Trimethoxybenzonitrile | 3,4,5-trimethoxy-benzonitrile | 3,5-Trimethoxybenzenecarbonitrile | STL353607 | SCHEMBL509507 | A813236 | MFCD00001803 | W-107754 | FT-0614165 | AKOS001079104 | Benz

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2,5-Trimethoxybenzonitrile | EINECS 217-550-4 | SY048584 | 3,4,5-Trimethoxybenzonitrile | 3,4,5-trimethoxy-benzonitrile | 3,5-Trimethoxybenzenecarbonitrile | STL353607 | SCHEMBL509507 | A813236 | MFCD00001803 | W-107754 | FT-0614165 | AKOS001079104 | Benz

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504752718

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752718

Sorrisi canonici

COC1=CC(=CC(=C1OC)OC)C#N

IUPAC Name

3,4,5-trimethoxybenzonitrile

InChIKey

OSBQUSPVORCDCU-UHFFFAOYSA-N

INCHI

1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3

Isomeri SMILES

COC1=CC(=CC(=C1OC)OC)C#N

WGK Germania

3

RTECS

DI4965000

PubChem CID

15892

Peso molecolare

193.2

Reaxy-Rn

979686

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

• Solubilità: Soluble in Methanol
• Punto di ebollizione (°C): 185 °C/10 mmHg
• Punto di fusione (°C): 94 °C
• Peso molecolare: 193.200 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 51.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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 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 1885-35-4, the molecular formula is C10H11NO3, and the molecular weight is 193.2 g/mol. InChIKey OSBQUSPVORCDCU-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.