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

CAS: 594-20-7 Cat. No.: D433024 분자식: C₃H₆Cl₂ 분자량: 112.99 Beilstein Registry Number: 1731150 EC 번호: 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

개요

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

동의어

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 |

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: CC(C)(Cl)Cl
• IUPAC Name: 2,2-dichloropropane
• InChIKey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
• 이성체 SMILES: CC(C)(Cl)Cl
• WGK 독일: 3
• RTECS: TX9662500
• 분자량: 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
    • 분류 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

관련 대상(비인간)

Aspergillus nidulans (364 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Heat sensitive
• 굴절률: 1.415
• 발화점(°C): -5.0 °C
• 끓는점(°C): 68 - 69 °C
• 녹는점(°C): -35 °C
• 분자량: 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

참고 문헌

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]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 594-20-7, the molecular formula is C3H6Cl2, and the molecular weight is 112.99 g/mol. InChIKey ZEOVXNVKXIPWMS-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.