2,2-Dichloropropane - ≥98% , CAS No.594-20-7

CAS: 594-20-7 Cat. No.: D433024 Peso molecular: 112.99 Beilstein Registry Number: 1731150 Número EC: 209-832-0

GRADE & PURITY ≥98%

Synonyms

CAS-594-20-7 | MFCD00000812 | FT-0609218 | S0624 | UNII-C5V432N6XB | ZEOVXNVKXIPWMS-UHFFFAOYSA-N | Q25384673 | Propane, 2,2-dichloro- | Dichlorodimethylmethane | NCGC00091723-01 | Tox21_303540 | 2,2-Dichloropropane 100 microg/mL in Methanol | C5V432N6XB |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

General Description

Dehydrohalogenation of 2,2-dichloropropane sorbed in micropores of several model mineral solids has been investigated. Polymorphism of 2,2-dichloropropane has been investigated by thermal and X-ray powder diffraction experiments.

Specifications

Sinónimos

CAS-594-20-7 | MFCD00000812 | FT-0609218 | S0624 | UNII-C5V432N6XB | ZEOVXNVKXIPWMS-UHFFFAOYSA-N | Q25384673 | Propane, 2, 2-dichloro- | Dichlorodimethylmethane | NCGC00091723-01 | Tox21_303540 | 2, 2-Dichloropropane 100 microg/mL in Methanol | C5V432N6XB |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(Cl)Cl
• IUPAC Name: 2,2-dichloropropane
• InChIKey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
• Isómeros SMILES: CC(C)(Cl)Cl
• WGK Alemania: 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
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (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

Objetivos asociados (no 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 acción

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive
• Índice de refracción: 1.415
• Punto de inflamación (°C): -5.0 °C
• Punto de ebullición (°C): 68 - 69 °C
• Punto de fusión (°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

Referencias

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]