2,4-Dichloroquinazoline - ≥95% , CAS No.607-68-1

CAS: 607-68-1 Cat. No.: D185530 분자식: C₈H₄Cl₂N₂ 분자량: 199 EC 번호: 612-020-2

등급 & 순도 ≥95%

Synonyms

FT-0600462 | AC-712 | 2,4-Dichloroquinazoline; | A8458 | MFCD00091950 | Z991522362 | F2108-0057 | DTXSID30291383 | BCP27372 | AB03291 | NSC75192 | NSC-75192 | STL503762 | AKOS000291524 | AM20040830 | 2,4-dichloroquinazoline | 2,4-dichloro-quinazoline | SC

Storage

Room temperature

Shipped In

Normal

사양

동의어

FT-0600462 | AC-712 | 2,4-Dichloroquinazoline; | A8458 | MFCD00091950 | Z991522362 | F2108-0057 | DTXSID30291383 | BCP27372 | AB03291 | NSC75192 | NSC-75192 | STL503762 | AKOS000291524 | AM20040830 | 2,4-dichloroquinazoline | 2,4-dichloro-quinazoline | SC

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

Pubchem Sid

504758133

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758133

정식 스마일

C1=CC=C2C(=C1)C(=NC(=N2)Cl)Cl

IUPAC Name

2,4-dichloroquinazoline

InChIKey

TUQSVSYUEBNNKQ-UHFFFAOYSA-N

INCHI

1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H

이성체 SMILES

C1=CC=C2C(=C1)C(=NC(=N2)Cl)Cl

분자량

199

Reaxy-Rn

132192

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: 2-halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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

• 분자량: 199.030 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.975 Da
• Monoisotopic Mass: 197.975 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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 ≥95% 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 607-68-1, the molecular formula is C8H4Cl2N2, and the molecular weight is 199 g/mol. InChIKey TUQSVSYUEBNNKQ-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.