1-Boc-4-bromopyrazole - ≥97% , CAS No.1150271-23-0

CAS: 1150271-23-0 Cat. No.: B166128 Fórmula: C₈H₁₁BrN₂O₂ Peso molecular: 247.09 Número CE: 693-330-5

GRAU & PUREZA ≥97%

Synonyms

N-boc-4-bromopyrazole | t-Butyl 4-bromo-1H-pyrazole-1-carboxylate | 1-Boc-4-bromopyrazole, 97% | TS-03397 | 1-Boc-4-bromopyrazole | 1150271-23-0 | SY022220 | EN300-7269363 | IQEFCRDQVLIADR-UHFFFAOYSA-N | J-003183 | A2352 | DS-1323 | TERT-BUTYL 4-BROMOPYRA

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

N-boc-4-bromopyrazole | t-Butyl 4-bromo-1H-pyrazole-1-carboxylate | 1-Boc-4-bromopyrazole, 97% | TS-03397 | 1-Boc-4-bromopyrazole | 1150271-23-0 | SY022220 | EN300-7269363 | IQEFCRDQVLIADR-UHFFFAOYSA-N | J-003183 | A2352 | DS-1323 | TERT-BUTYL 4-BROMOPYRA

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508807237

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807237

Sorrisos canónicos

CC(C)(C)OC(=O)N1C=C(C=N1)Br

IUPAC Name

tert-butyl 4-bromopyrazole-1-carboxylate

InChIKey

IQEFCRDQVLIADR-UHFFFAOYSA-N

INCHI

1S/C8H11BrN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3

SMILES isoméricas

CC(C)(C)OC(=O)N1C=C(C=N1)Br

WGK Alemanha

3

Peso molecular

247.09

Reaxy-Rn

23448719

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23448719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-1-carboxylic acid or derivatives - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 48-52°C
• Peso molecular: 247.090 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246 Da
• Monoisotopic Mass: 246 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 203.000
• 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