Dalapon - ≥90% , CAS No.75-99-0

CAS: 75-99-0 Cat. No.: D140875 분자식: C₃H₄Cl₂O₂ 분자량: 142.97 Beilstein Registry Number: 1750149 EC 번호: 200-923-0

GRADE & PURITY ≥90%

Synonyms

Propanoic acid, 2,2-dichloro- | DTXCID201575 | Radapon (Salt/Mix) | VO6PY8ZMRW | Dowpon proprop | BH dalapon | NCGC00248007-01 | Basinex | CCRIS 7752 | FT-0609219 | Kenapon | Basinex P | NSC56352 | NSC-56352 | C18600 | CAS-75-99-0 | Dalapon, certified ref

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Propanoic acid, 2,2-dichloro- | DTXCID201575 | Radapon (Salt/Mix) | VO6PY8ZMRW | Dowpon proprop | BH dalapon | NCGC00248007-01 | Basinex | CCRIS 7752 | FT-0609219 | Kenapon | Basinex P | NSC56352 | NSC-56352 | C18600 | CAS-75-99-0 | Dalapon, certified ref

사양 및 순도

≥90%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥90%

이름과 식별자

• Pubchem Sid: 508816459
• 정식 스마일: CC(C(=O)O)(Cl)Cl
• IUPAC Name: 2,2-dichloropropanoic acid
• InChIKey: NDUPDOJHUQKPAG-UHFFFAOYSA-N
• INCHI: 1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
• 이성체 SMILES: CC(C(=O)O)(Cl)Cl
• WGK 독일: 1
• UN 번호: 1760
• 포장 그룹: I
• 분자량: 142.97
• Beilstein: 1750149
• Reaxy-Rn: 1750149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: Pesticides

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

관련 대상(인간)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 굴절률: 1.4544
• 끓는점(°C): 90-92°C
• 분자량: 142.970 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.959 Da
• Monoisotopic Mass: 141.959 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.900
• 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

참고 문헌

1. Kai Wu, Yunyou Zhou, Tao Li, Junyong Sun, Xiaoqing Xing, Qian Song.  (2012)  Cadmium Tellurium Quantum Dots in Sol-Gel-Derived Silica Spheres Coated with Calix[6]Arene as an Optical Probe for Dalapon.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2012.703740]