2-Bromo-5-methylpyrazine - ≥98% , CAS No.98006-90-7

CAS: 98006-90-7 Cat. No.: B188923 Formule: C₅H₅BrN₂ Poids moléculaire: 173.01 Numéro CE: 852-127-3

GRADE & PURITY ≥98%

Synonyms

EN300-101691 | TS-02361 | Z1198181968 | SY013918 | MFCD08705754 | DTXSID50625621 | OBZRGWKVWAXNKZ-UHFFFAOYSA-N | FT-0713600 | BBL100358 | 2-bromo-5-methylpyrazine | 2-Bromo-5-methyl-pyrazine | AC-26943 | SCHEMBL426574 | STL554152 | AKOS005259416 | AM20070

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

EN300-101691 | TS-02361 | Z1198181968 | SY013918 | MFCD08705754 | DTXSID50625621 | OBZRGWKVWAXNKZ-UHFFFAOYSA-N | FT-0713600 | BBL100358 | 2-bromo-5-methylpyrazine | 2-Bromo-5-methyl-pyrazine | AC-26943 | SCHEMBL426574 | STL554152 | AKOS005259416 | AM20070

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508808345

Sourires canoniques

CC1=CN=C(C=N1)Br

IUPAC Name

2-bromo-5-methylpyrazine

InChIKey

OBZRGWKVWAXNKZ-UHFFFAOYSA-N

INCHI

1S/C5H5BrN2/c1-4-2-8-5(6)3-7-4/h2-3H,1H3

Isomères SMILES

CC1=CN=C(C=N1)Br

Poids moléculaire

173.01

Reaxy-Rn

20074345

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20074345&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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

Propriétés chimiques et physiques

• Poids moléculaire: 173.010 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.964 Da
• Monoisotopic Mass: 171.964 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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