2-Chloro-5-iodoanisole - ≥97% , CAS No.161949-50-4

CAS: 161949-50-4 Cat. No.: C191291 분자식: C₇H₆ClIO 분자량: 268.48 EC 번호: 605-273-5

GRADE & PURITY ≥97%

Synonyms

DTXSID70469029 | A19908 | 2-Chloro-5-iodoanisole | FT-0687019 | AKOS016001381 | MFCD00672968 | JFOAEMJHYWJFHL-UHFFFAOYSA-N | 2-Chloro-5-iodo-1-methoxybenzene | 1-chloro-4-iodo-2-methoxybenzene | EN300-234163 | SCHEMBL4686356 | Benzene, 1-chloro-4-iodo-2-m

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID70469029 | A19908 | 2-Chloro-5-iodoanisole | FT-0687019 | AKOS016001381 | MFCD00672968 | JFOAEMJHYWJFHL-UHFFFAOYSA-N | 2-Chloro-5-iodo-1-methoxybenzene | 1-chloro-4-iodo-2-methoxybenzene | EN300-234163 | SCHEMBL4686356 | Benzene, 1-chloro-4-iodo-2-m

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488197605
• 정식 스마일: COC1=C(C=CC(=C1)I)Cl
• IUPAC Name: 1-chloro-4-iodo-2-methoxybenzene
• InChIKey: JFOAEMJHYWJFHL-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
• 이성체 SMILES: COC1=C(C=CC(=C1)I)Cl
• 분자량: 268.48
• Reaxy-Rn: 11074520
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11074520&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Iodobenzenes Chlorobenzenes Alkyl aryl ethers Aryl iodides Aryl chlorides Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organoiodide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene 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

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 268.480 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 267.915 Da
• Monoisotopic Mass: 267.915 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• 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

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 161949-50-4, the molecular formula is C7H6ClIO, and the molecular weight is 268.48 g/mol. InChIKey JFOAEMJHYWJFHL-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.