2-Chloro-3-methoxybenzaldehyde - ≥98%(GC) , CAS No.54881-49-1

CAS: 54881-49-1 Cat. No.: C124147 분자식: C₈H₇ClO₂ 분자량: 170.59 Beilstein Registry Number: 8(3)204 EC 번호: 627-748-6

GRADE & PURITY ≥98%(GC)

Synonyms

2-Chloro-m-anisaldehyde | AMY28095 | SCHEMBL63899 | AKOS022638212 | 2-Chloro-3-methoxybenzaldehyde, 97% | GS-6849 | A870331 | MFCD07369787 | XKLMLKSXPIITAL-UHFFFAOYSA-N | SY052872 | F2191-0148 | 2-chloro-3-methoxy benzaldehyde | Benzaldehyde, 2-chloro-3-m

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

2-Chloro-m-anisaldehyde | AMY28095 | SCHEMBL63899 | AKOS022638212 | 2-Chloro-3-methoxybenzaldehyde, 97% | GS-6849 | A870331 | MFCD07369787 | XKLMLKSXPIITAL-UHFFFAOYSA-N | SY052872 | F2191-0148 | 2-chloro-3-methoxy benzaldehyde | Benzaldehyde, 2-chloro-3-m

사양 및 순도

≥98%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 488198158
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198158
• 정식 스마일: COC1=CC=CC(=C1Cl)C=O
• IUPAC Name: 2-chloro-3-methoxybenzaldehyde
• InChIKey: XKLMLKSXPIITAL-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3
• 이성체 SMILES: COC1=CC=CC(=C1Cl)C=O
• WGK 독일: 2
• 분자량: 170.59
• Beilstein: 8(3)204
• Reaxy-Rn: 508899
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508899&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzaldehyde - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: air sensitive
• 녹는점(°C): 55.0-59.0°C
• 분자량: 170.590 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.013 Da
• Monoisotopic Mass: 170.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 54881-49-1, the molecular formula is C8H7ClO2, and the molecular weight is 170.59 g/mol. InChIKey XKLMLKSXPIITAL-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.