Ethyl α-bromoisobutyrate - ≥98% , CAS No.600-00-0

CAS: 600-00-0 Cat. No.: E104492 분자식: C₆H₁₁BrO₂ 분자량: 195.05 Beilstein Registry Number: 1098947 EC 번호: 209-980-6

GRADE & PURITY ≥98%

Synonyms

ethyl dimethylbromoacetate | IOLQWGVDEFWYNP-UHFFFAOYSA- | 2-bromo-2-methylpropanoic acid ethyl ester | 2-bromo-2-methyl-propanoic acid ethyl ester | ethyl 2-bromo-2-methylproprionate | Ethyl alpha-bromoisobutyrate, purum, >=97.0% (GC) | Ethyl .alpha.-brom

Storage

Room temperature

Shipped In

FedEx DG Service

개요

Atom Transfer Radical Polymerization initiator that will generate a polymer with an ethyl end group.

Specifications

동의어

ethyl dimethylbromoacetate | IOLQWGVDEFWYNP-UHFFFAOYSA- | 2-bromo-2-methylpropanoic acid ethyl ester | 2-bromo-2-methyl-propanoic acid ethyl ester | ethyl 2-bromo-2-methylproprionate | Ethyl alpha-bromoisobutyrate, purum, >=97.0% (GC) | Ethyl .alpha.-brom

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

488181420

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181420

정식 스마일

CCOC(=O)C(C)(C)Br

IUPAC Name

ethyl 2-bromo-2-methylpropanoate

InChIKey

IOLQWGVDEFWYNP-UHFFFAOYSA-N

INCHI

1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3

이성체 SMILES

CCOC(=O)C(C)(C)Br

WGK 독일

3

UN 번호

1993

분자량

195.05

Beilstein

1098947

Reaxy-Rn

1098947

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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: Soluble in alcohol, ether. Insoluble in water
• 굴절률: 1.443-1.446
• 발화점(°F): 140 °F
• 발화점(°C): 60℃
• 끓는점(°C): 65-67 ℃/11 mmHg (lit.)
• 분자량: 195.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 193.994 Da
• Monoisotopic Mass: 193.994 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 110.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 600-00-0, the molecular formula is C6H11BrO2, and the molecular weight is 195.05 g/mol. InChIKey IOLQWGVDEFWYNP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.