2,2-Dichloropropane Standard - 2000ug/ml in Purge and Trap Methanol , CAS No.594-20-7

CAS: 594-20-7 Cat. No.: D128121 Fórmula: C₃H₆Cl₂ Peso molecular: 112.99 Beilstein Registry Number: 1731150 Número CE: 209-832-0

GRADE & PURITY 2000ug/ml in Purge and Trap Methanol

Synonyms

2,2-DICHLOROPROPANE|594-20-7|Propane, 2,2-dichloro-|Dimethyldichloromethane|Dichlorodimethylmethane|2,2-Dichloro-propane|C5V432N6XB|DTXSID7030060|DTXCID5010060|R 270aa|CAS-594-20-7|CCRIS 9221|Dichloropropane, 2,2-|EINECS 209-832-0|UNII-C5V432N6XB|Acetone

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Volatile Organic Compounds (VOCs) Single Component Standards US EPA Methods:502.2,524.2,8021,8021A,8021B,624,8240B,8260B

Specifications

Sinónimos

2,2-DICHLOROPROPANE | 594-20-7 | Propane, 2,2-dichloro- | Dimethyldichloromethane | Dichlorodimethylmethane | 2,2-Dichloro-propane | C5V432N6XB | DTXSID7030060 | DTXCID5010060 | R 270aa | CAS-594-20-7 | CCRIS 9221 | Dichloropropane, 2,2- | EINECS 209-832-0 | UNII-C5V432N6XB | Acetone

Especificações e pureza

2000ug/ml in Purge and Trap Methanol

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Pubchem Sid: 528755125
• Sorrisos canónicos: CC(C)(Cl)Cl
• IUPAC Name: 2,2-dichloropropane
• InChIKey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
• SMILES isoméricas: CC(C)(Cl)Cl
• WGK Alemanha: 3
• RTECS: TX9662500
• Peso molecular: 112.99
• Beilstein: 1731150
• Reaxy-Rn: 1731150
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731150&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

Alvos associados (não humanos)

Aspergillus nidulans (364 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.415
• Ponto de inflamação (°C): -5.0 °C
• Ponto de ebulição (°C): 68 - 69 °C
• Ponto de fusão (°C): -35 °C
• Peso molecular: 112.980 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 111.985 Da
• Monoisotopic Mass: 111.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 27.900
• 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

Referências

1. Xindong Yang, Chenan Dai, Guoxin Zheng, Shaojie Ding, Juan Wu, Qinghua Zhou, Anping Zhang, Jianqiang Sun.  (2025)  Bisphenol analogues in soils and lettuce (Lactuca sativa L.) around typical factories in eastern China: Occurrence, contamination characteristics, and health risks.  ENVIRONMENTAL POLLUTION,      [PMID:40154866] [10.1016/j.envpol.2025.126126]

2. Chuanjie Tang, Lixue Ren, Yixuan Wang, Wanjun Long, Shuo Wang, Luyu Wei, Wei Lan, Hengye Chen, Haiyan Fu, Yuanbin She.  (2025)  Detection and safety evaluation of pesticide residues in representative floral and foliage foods: Hangbaiju and green tea.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.116414]

3. Yang Liuxin, Cheng Yiyu, Qin Si, Jiang Jun, Zhong Shiyi, Bi Xinyue, Xu Jiali, Wang Kai, Qiu Shuang, Li Xiang.  (2026)  Bifunctional Ionophores for Cuproptosis Activation: Dual Targeting of Copper and Fe–S Protein Homeostasis.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:] [10.1021/acs.jmedchem.6c01350]