Ethyl 2-bromothiazole-5-carboxylate - ≥98% , CAS No.41731-83-3

CAS: 41731-83-3 Cat. No.: E119080 분자식: C₆H₆BrNO₂S 분자량: 236.09 EC 번호: 627-432-8

GRADE & PURITY ≥98%

Synonyms

PB30639 | 2-bromo-5-thiazolecarboxylic acid ethyl ester | EN300-52388 | DTXSID50394264 | SY006696 | 2-bromo-1,3-thiazole-5-carboxylic ethyl ester | FT-0600585 | A6868 | AM20100104 | 2-bromo-1,3-thiazole-5-carboxylic acid ethyl ester | AKOS005146124 | 2-Br

Storage

Argon charged,Room temperature

Shipped In

Normal

개요

Product Application：

Ethyl 2-bromothiazole-5-carboxylate is used in medicine, pharmaceutical intermediate

Specifications

동의어

PB30639 | 2-bromo-5-thiazolecarboxylic acid ethyl ester | EN300-52388 | DTXSID50394264 | SY006696 | 2-bromo-1,3-thiazole-5-carboxylic ethyl ester | FT-0600585 | A6868 | AM20100104 | 2-bromo-1,3-thiazole-5-carboxylic acid ethyl ester | AKOS005146124 | 2-Br

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504762635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762635
• 정식 스마일: CCOC(=O)C1=CN=C(S1)Br
• IUPAC Name: ethyl 2-bromo-1,3-thiazole-5-carboxylate
• InChIKey: KTYIFXLNIMPSKI-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
• 이성체 SMILES: CCOC(=O)C1=CN=C(S1)Br
• WGK 독일: 3
• 분자량: 236.09
• Reaxy-Rn: 138038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=138038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,5-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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

관련 대상(비인간)

ddlB D-alanylalanine synthetase (66 Activities)

Discover Target: ddlB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

murA UDP-N-acetylglucosamine 1-carboxyvinyltransferase (389 Activities)

Discover Target: murA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible is water.
• 감도: Air Sensitive
• 굴절률: 1.55
• 발화점(°F): 230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 68 °C/11 mmHg
• 분자량: 236.090 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.93 Da
• Monoisotopic Mass: 234.93 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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

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 should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 41731-83-3, the molecular formula is C6H6BrNO2S, and the molecular weight is 236.09 g/mol. InChIKey KTYIFXLNIMPSKI-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.