3,5-Dichlorobenzaldehyde - ≥97% , CAS No.10203-08-4

CAS: 10203-08-4 Cat. No.: D100637 분자식: C₇H₄Cl₂O 분자량: 175.01 Beilstein Registry Number: 2040553 EC 번호: 233-499-0

GRADE & PURITY ≥97%

Synonyms

NSC109095 | NSC-109095 | 2,6-DICHLORO-4-BENZALDEHYDE | D2012 | 3,5-Dichlorobenzaldehyde | 3,5-Dichloro-benzaldehyde | FT-0658215 | W-108891 | Z452409804 | 3,5-dichlorobezaldehyde | NSC 109095 | InChI=1/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4 | MFCD00003352

Storage

Room temperature,Argon charged

Shipped In

Normal

개요

3,5-Dichlorobenzaldehyde was used as starting reagent during synthesis of β-aryl-β-amino acid enantiomers. It was used in the synthesis of dichlorophenylpyruvic acid.

Specifications

동의어

NSC109095 | NSC-109095 | 2,6-DICHLORO-4-BENZALDEHYDE | D2012 | 3,5-Dichlorobenzaldehyde | 3,5-Dichloro-benzaldehyde | FT-0658215 | W-108891 | Z452409804 | 3,5-dichlorobezaldehyde | NSC 109095 | InChI=1/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4 | MFCD00003352

사양 및 순도

≥97%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 504753543
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753543
• 정식 스마일: C1=C(C=C(C=C1Cl)Cl)C=O
• IUPAC Name: 3,5-dichlorobenzaldehyde
• InChIKey: CASRSOJWLARCRX-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
• 이성체 SMILES: C1=C(C=C(C=C1Cl)Cl)C=O
• WGK 독일: 3
• 분자량: 175.01
• Beilstein: 2040553
• Reaxy-Rn: 2040553
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040553&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzoyl derivatives Benzaldehydes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Aryl halide - Aryl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: Air Sensitive
• 끓는점(°C): 215°C/7mmHg
• 녹는점(°C): 62-66°C
• 분자량: 175.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.964 Da
• Monoisotopic Mass: 173.964 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 117.000
• 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 in a cool place 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 10203-08-4, the molecular formula is C7H4Cl2O, and the molecular weight is 175.01 g/mol. InChIKey CASRSOJWLARCRX-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.