5,6,7,8-Tetrahydroquinoxaline - ≥98%(GC) , CAS No.34413-35-9

CAS: 34413-35-9 Cat. No.: T161676 Molecular Weight: 134.18 EC Number: 252-002-8 PubChem CID: 36822

GRADE & PURITY ≥98%(GC)

Synonyms

CHEBI:179433 | SCHEMBL13444 | 5,6,7,8-Tetrahydroquinoxaline, >=97%, FG | SY020997 | M153CJ9RA0 | DTXCID2027678 | FT-0619806 | TETRAHYDRO TERRAZINE 014 | Q-100417 | EN300-101616 | Q21099099 | Tox21_302592 | FEMA No. 3321 | 5,6,7,8-TETRAHYDROQUINOXALINE | 5

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

CHEBI:179433 | SCHEMBL13444 | 5, 6, 7, 8-Tetrahydroquinoxaline, >=97%, FG | SY020997 | M153CJ9RA0 | DTXCID2027678 | FT-0619806 | TETRAHYDRO TERRAZINE 014 | Q-100417 | EN300-101616 | Q21099099 | Tox21_302592 | FEMA No. 3321 | 5, 6, 7, 8-TETRAHYDROQUINOXALINE | 5

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488183282
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183282
• Canonical Smiles: C1CCC2=NC=CN=C2C1
• IUPAC Name: 5,6,7,8-tetrahydroquinoxaline
• InChIKey: XCZPDOCRSYZOBI-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2
• Isomeric SMILES: C1CCC2=NC=CN=C2C1
• PubChem CID: 36822
• Molecular Weight: 134.18
• Reaxy-Rn: 957053

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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

• Refractive Index: 1.54
• Flash Point(°F): 92℃
• Flash Point(°C): 92℃
• Boil Point(°C): 72-74℃/4mm
• Molecular Weight: 134.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.084 Da
• Monoisotopic Mass: 134.084 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.800
• 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

References

1. Shuxing Zhou, Chunlin Li, Li Li, Feng Xie, Karyne M. Rogers, Yuwei Yuan, Jun Huang.  (2025)  Differentiating volatile compounds in soy sauce that regulate the attractiveness of flesh flies (Parasarcophaga dux).  FOOD CHEMISTRY,      [PMID:41027210] [10.1016/j.foodchem.2025.146504]