7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine - ≥97% , CAS No.937046-98-5

CAS: 937046-98-5 Cat. No.: B178335 Molecular Weight: 213.038 EC Number: 878-415-9

GRADE & PURITY ≥97%

Synonyms

EN300-316509 | PYRROLO[2,1-F][1,2,4]TRIAZIN-4-AMINE, 7-BROMO- | SY020952 | CL0265 | AC-31299 | YGCJBESZJIGDMP-UHFFFAOYSA-N | SCHEMBL57305 | 7-BROMO-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YLAMINE | FT-0685175 | A859669 | 4-AMINO-7-BROMO-PYRROLO[2,1-F][1,2,4]TRIAZI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

EN300-316509 | PYRROLO[2, 1-F][1, 2, 4]TRIAZIN-4-AMINE, 7-BROMO- | SY020952 | CL0265 | AC-31299 | YGCJBESZJIGDMP-UHFFFAOYSA-N | SCHEMBL57305 | 7-BROMO-PYRROLO[2, 1-F][1, 2, 4]TRIAZIN-4-YLAMINE | FT-0685175 | A859669 | 4-AMINO-7-BROMO-PYRROLO[2, 1-F][1, 2, 4]TRIAZI

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200889
• Canonical Smiles: C1=C2C(=NC=NN2C(=C1)Br)N
• IUPAC Name: 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
• InChIKey: YGCJBESZJIGDMP-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)
• Isomeric SMILES: C1=C2C(=NC=NN2C(=C1)Br)N
• Molecular Weight: 213.038
• Reaxy-Rn: 15495526
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15495526&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolotriazines
      • Subclass Pyrrolo[2,1-f][1,2,4]triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolotriazines
• Subclass: Pyrrolo[2,1-f][1,2,4]triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,1-f][1,2,4]triazines
• Alternative Parents: Substituted pyrroles Imidolactams Aryl bromides 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,1-f][1,2,4]triazine - Aryl bromide - Aryl halide - 1,2,4-triazine - Imidolactam - Triazine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole 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,Heat Sensitive
• Melt Point(°C): 247 °C
• Molecular Weight: 213.030 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 211.97 Da
• Monoisotopic Mass: 211.97 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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