3-Methoxybenzohydrazide - ≥98% , CAS No.5785-06-8

CAS: 5785-06-8 Cat. No.: M158285 Molecular Weight: 166.18 Beilstein Registry Number: 10(4)330 EC Number: 227-310-0

GRADE & PURITY ≥98%

Synonyms

Dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate | m-Anisic hydrazide, 98% | SCHEMBL667723 | DTXSID60206561 | 3-Methoxybenzoylhydrazine | Benzoic acid, 3-methoxy-, hydrazide | 3-Methoxybenzhydrazide | m-anisic acid hydrazide | J-512784 | M-METHOXYBENZOIC A

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

m-Anisic hydrazide has been used in the preparation of Schiff base ligands: . (5-chlorosalicylaldehyde furan-1-carbohydrazonato) hexamethylphosphoramide dioxomolybdenum (VI) dimethylformamide solvate . 5-chlorosalicylaldehyde 3-methoxy-benzo hydrazone . (5-chlorosalicylaldehyde 3-methoxy-benzylhydrazonato) dimethylsulfoxide dioxomolybdenum (VI)

Specifications

Synonyms

Dimethyl 2, 5-dioxo-1, 4-cyclohexanedicarboxylate | m-Anisic hydrazide, 98% | SCHEMBL667723 | DTXSID60206561 | 3-Methoxybenzoylhydrazine | Benzoic acid, 3-methoxy-, hydrazide | 3-Methoxybenzhydrazide | m-anisic acid hydrazide | J-512784 | M-METHOXYBENZOIC A

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755423
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755423
• Canonical Smiles: COC1=CC=CC(=C1)C(=O)NN
• IUPAC Name: 3-methoxybenzohydrazide
• InChIKey: VMZSDAQEWPNOIB-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
• Isomeric SMILES: COC1=CC=CC(=C1)C(=O)NN
• Molecular Weight: 166.18
• Beilstein: 10(4)330
• Reaxy-Rn: 2092135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092135&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 90-94℃
• Molecular Weight: 166.180 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 161.000
• 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