1,3-Dichloropropane solution - analytical standard, 1000ug/ml in methanol , CAS No.142-28-9

CAS: 142-28-9 Cat. No.: D140761 分子式: C₃H₆Cl₂ 分子量: 112.99 Beilstein Registry Number: 505960 EC番号: 205-531-3

GRADE & PURITY Analytical standard, 1000ug/ml in methanol

Synonyms

1,3-DICHLOROPROPANE|142-28-9|Trimethylene dichloride|Propane, 1,3-dichloro-|1,3-Dichloro-propane|CH2ClCH2CH2Cl|AJ1HQ2GUCP|Cl(CH2)3Cl|DTXSID6022004|NSC-6204|R 270fa|26638-19-7|Trimethylene Chloride|CCRIS 9220|HSDB 5482|Dichloropropane, 1,3-|UNII-AJ1HQ2GUCP

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

1,3-DICHLOROPROPANE | 142-28-9 | Trimethylene dichloride | Propane, 1,3-dichloro- | 1,3-Dichloro-propane | CH2ClCH2CH2Cl | AJ1HQ2GUCP | Cl(CH2)3Cl | DTXSID6022004 | NSC-6204 | R 270fa | 26638-19-7 | Trimethylene Chloride | CCRIS 9220 | HSDB 5482 | Dichloropropane, 1,3- | UNII-AJ1HQ2GUCP

仕様と純度

analytical standard, 1000ug/ml in methanol

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528753740
• カノニカル・スマイル: C(CCl)CCl
• IUPAC Name: 1,3-dichloropropane
• InChIKey: YHRUOJUYPBUZOS-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
• 異性体SMILES: C(CCl)CCl
• WGKドイツ: 1
• UN番号: 1993
• 包装グループ: I
• 分子量: 112.99
• Beilstein: 505960
• Reaxy-Rn: 505960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

関連ターゲット（非人間）

Aspergillus nidulans (364 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: n20/D 1.448 (lit.)
• 引火点（°C）: 21°C
• 沸点（°C）: 122°C
• 融点（°C）: −99 °C (lit.)
• 分子量: 112.980 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• 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: 12.400
• 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

参考文献

1. Chengbao Geng, Pei Huang, Fangbo Zhao, Hongxing Dong, Hongyan Niu, Yue Zhou, Jun Shen, Jiaming Zhang.  (2021)  Enhancing the long-term separation stability of TFC membrane by the covalent bond between synthetic amino-substituted polyethersulfone substrate and polyamide layer.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2021.119637]

2. Qi Wei, Hao Cheng, Shubin Wu, Chunxia Chen.  (2019)  Determination of low molecular weight chlorinated organic compounds in polyamideanine epichlorohydrin solution.  NORDIC PULP & PAPER RESEARCH JOURNAL,  34  (3): (326-333).  [PMID:] [10.1515/npprj-2018-0084]

3. Dongdong Zhu, Lu Li, Yunlong Ji, Pan Wang.  (2024)  Aqueous colloid flow batteries with nano Prussian blue.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39182389] [10.1016/j.jcis.2024.08.110]

4. Chunyun Gu, Jiayi An, Shuyu Liu, Feng Xiong, Wei Zhou, Liting Tian, Yuruo Wan, Qian Wu, Jie Ma.  (2025)  Degradation of 15 halogenated hydrocarbons by 5 unactivated in-situ chemical oxidation oxidants.  ENVIRONMENTAL TECHNOLOGY,      [PMID:39813303] [10.1080/09593330.2025.2450557]

5. Xiaojuan Wang, Houkang Pu, Hanjing Xue, Huacheng Xu, Yijun Huang, Xinyan Wang, Congjie Gao, Xueli Gao.  (2024)  Prompted by surface-engineered honeycomb Turing nanostructures: Reflections on polyamide structure, growth and performance.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122809]

6. Sheng Cai, Jian-Qiang Jin, Xiao-Ling Tang, Ren-Chao Zheng, Yu-Guo Zheng.  (2026)  Controlling Enantioselectivity of Halohydrin Dehalogenase for Asymmetric Synthesis of Chiral Epichlorohydrin.  BIOTECHNOLOGY AND BIOENGINEERING,      [PMID:41486681] [10.1002/bit.70151]