5-(3,5-Dichlorophenyl)nicotinic acid - ≥97% , CAS No.887973-53-7

CAS: 887973-53-7 Cat. No.: D187796 분자식: C₁₂H₇Cl₂NO₂ 분자량: 268.1 PubChem CID: 24729801

GRADE & PURITY ≥97%

Synonyms

A842906 | AKOS015999298 | J-516153 | BS-25801 | 5-(3,5-DICHLOROPHENYL)NICOTINIC ACID | 5-(3,5-Dichlorophenyl)-nicotinic acid | MFCD06410288 | 5-[3,5-bis(chloranyl)phenyl]pyridine-3-carboxylic acid | AB24312 | DTXSID10646978 | 5-(3,5-dichlorophenyl)pyridin

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

A842906 | AKOS015999298 | J-516153 | BS-25801 | 5-(3,5-DICHLOROPHENYL)NICOTINIC ACID | 5-(3,5-Dichlorophenyl)-nicotinic acid | MFCD06410288 | 5-[3,5-bis(chloranyl)phenyl]pyridine-3-carboxylic acid | AB24312 | DTXSID10646978 | 5-(3,5-dichlorophenyl)pyridin

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: C1=C(C=C(C=C1Cl)Cl)C2=CC(=CN=C2)C(=O)O
• IUPAC Name: 5-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
• InChIKey: JBANHRCWVIXXHZ-UHFFFAOYSA-N
• INCHI: 1S/C12H7Cl2NO2/c13-10-2-7(3-11(14)4-10)8-1-9(12(16)17)6-15-5-8/h1-6H,(H,16,17)
• 이성체 SMILES: C1=C(C=C(C=C1Cl)Cl)C2=CC(=CN=C2)C(=O)O
• PubChem CID: 24729801
• 분자량: 268.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyridinecarboxylic acids Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

• 분자량: 268.090 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 266.985 Da
• Monoisotopic Mass: 266.985 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 278.000
• 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 887973-53-7, the molecular formula is C12H7Cl2NO2, and the molecular weight is 268.1 g/mol. InChIKey JBANHRCWVIXXHZ-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.