클로렌 딕 무수물 - ≥95% , CAS No.115-27-5

CAS: 115-27-5 Cat. No.: C129141 분자식: C₉H₂Cl₆O₃ 분자량: 370.83 Beilstein Registry Number: 92693 EC 번호: 204-077-3

등급 & 순도 ≥95%

Synonyms

HSDB 2920 | NCGC00257993-01 | BRN 0092693 | H0349 | (4-시아노-페닐)-포스포닉애씨드 | CAS-115-27-5 | 4,3-디온, 4,5,6,7,8,8-헥사클로로-3a, 4,7,7a-테트라하이드로- | 1,7,8,9,10,10-hexachloro-4-옥사트리사이클로[5.2.1.0,dec-8-ene-3,5-dione | F71249 | STL573382 | FLBJFX

Storage

Argon charged,Room temperature

Shipped In

보통

사양

동의어

HSDB 2920 | NCGC00257993-01 | BRN 0092693 | H0349 | (4-시아노-페닐)-포스포닉애씨드 | CAS-115-27-5 | 4,3-디온, 4,5,6,7,8,8-헥사클로로-3a, 4,7,7a-테트라하이드로- | 1,7,8,9,10,10-hexachloro-4-옥사트리사이클로[5.2.1.0,dec-8-ene-3,5-dione | F71249 | STL573382 | FLBJFX

사양 및 순도

≥95%

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥95%

이름과 식별자

Pubchem Sid

504751639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751639

정식 스마일

C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

IUPAC Name

1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

InChIKey

FLBJFXNAEMSXGL-UHFFFAOYSA-N

INCHI

1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H

이성체 SMILES

C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

WGK 독일

1

RTECS

RB9080000

분자량

370.83

Beilstein

92693

Reaxy-Rn

307692

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=307692&ln=

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: Tetrahydrofurans Carboxylic acid anhydrides Lactones Vinyl chlorides Oxacyclic compounds Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Tetrahydrofuran - Lactone - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Aliphatic heteropolycyclic 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

• 용해성: Slightly soluble in water; Soluble in Acetone,Toluene,Benzene
• 감도: Moisture & Heat sensitive
• 녹는점(°C): 235-239°C
• 분자량: 370.800 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 369.811 Da
• Monoisotopic Mass: 367.814 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 498.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• 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 ≥95% 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 115-27-5, the molecular formula is C9H2Cl6O3, and the molecular weight is 370.83 g/mol. InChIKey FLBJFXNAEMSXGL-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.