Bromo-PEG5-alcohol - ≥98% , CAS No.957205-14-0

CAS: 957205-14-0 Cat. No.: B595287 분자식: C₁₀H₂₁BrO₅ 분자량: 301.2 EC 번호: 811-922-5 PubChem CID: 77078419

등급 & 순도 ≥98%

Synonyms

2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethanol | SCHEMBL18305845 | AKOS027339785 | 14-Bromo-3,6,9,12-tetraoxatetradecan-1-ol | Bromo-PEG5-alcohol | MFCD18252202 | BP-21691 | Br-PEG5-OH | AS-47145 | F12290

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

Bromo-PEG5-alcohol is a PEG derivative containing a bromide group and a terminal hydroxyl group. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The hydroxyl group enables further derivatization or replacement with other reactive functional groups.

사양

동의어

2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethanol | SCHEMBL18305845 | AKOS027339785 | 14-Bromo-3,6,9,12-tetraoxatetradecan-1-ol | Bromo-PEG5-alcohol | MFCD18252202 | BP-21691 | Br-PEG5-OH | AS-47145 | F12290

사양 및 순도

≥98%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

528772978

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772978

정식 스마일

C(COCCOCCOCCOCCBr)O

IUPAC Name

2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethanol

InChIKey

ZXJWAHSKDNOZCY-UHFFFAOYSA-N

INCHI

1S/C10H21BrO5/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h12H,1-10H2

이성체 SMILES

C(COCCOCCOCCOCCBr)O

PubChem CID

77078419

분자량

301.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Primary alcohols Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Hydrocarbon derivative - Primary alcohol - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

화학 및 물리적 특성

• 용해성: Solubility in DCM
• 분자량: 301.170 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 300.057 Da
• Monoisotopic Mass: 300.057 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 126.000
• 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