1,2-비스(브로모아세톡시)에탄 - ≥95% , CAS No.3785-34-0

CAS: 3785-34-0 Cat. No.: B693687 분자식: C₆H₈Br₂O₄ 분자량: 303.93 EC 번호: 223-250-4

GRADE & PURITY ≥95%

Synonyms

Ethane-1,2-diyl bis(2-bromoacetate)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

Ethane-1,2-diyl bis(2-bromoacetate)

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

정식 스마일

C(COC(=O)CBr)OC(=O)CBr

IUPAC Name

2-(2-bromoacetyl)oxyethyl 2-bromoacetate

InChIKey

WGHAPLWNJPAJDE-UHFFFAOYSA-N

INCHI

1S/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2

이성체 SMILES

C(COC(=O)CBr)OC(=O)CBr

대체 CAS

3785-34-0

NSC 번호

25854

MeSH 용어

5-chloro-3-tert-butyl-2'-chloro-4'-nitrosalicylanilide;S 13;S-13

분자량

303.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• 분자량: 303.930 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 303.877 Da
• Monoisotopic Mass: 301.879 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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