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

CAS: 1150271-23-0 Cat. No.: B166128 分子式: C₈H₁₁BrN₂O₂ 分子量: 247.09 EC番号: 693-330-5

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

508807237

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 48-52°C
• 分子量: 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