Haloprogin - Moligand™,≥98% , CAS No.777-11-7

CAS: 777-11-7 Cat. No.: H1368872 분자식: C₉H₄Cl₃IO 분자량: 361.39 EC 번호: 212-286-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-Iodo-2-propyn-1-yl 2,4,5-Trichlorophenyl Ether | 1,2,4-Trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

3-Iodo-2-propyn-1-yl 2,4,5-Trichlorophenyl Ether | 1,2,4-Trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene

사양 및 순도

Moligand™,≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

제품 특성

• ALogP: 4.6

이름과 식별자

• 정식 스마일: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI
• IUPAC Name: 1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene
• InChIKey: CTETYYAZBPJBHE-UHFFFAOYSA-N
• INCHI: 1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
• 이성체 SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI
• 분자량: 361.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Haloacetylenes and derivatives Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Haloacetylene or derivatives - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organoiodide - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• 감도: light sensitive
• 녹는점(°C): 113 °C
• 분자량: 361.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 359.837 Da
• Monoisotopic Mass: 359.837 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 247.000
• 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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 777-11-7, the molecular formula is C9H4Cl3IO, and the molecular weight is 361.39 g/mol. InChIKey CTETYYAZBPJBHE-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.