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

CAS: 142-28-9 Cat. No.: D140761 분자식: C₃H₆Cl₂ 분자량: 112.99 Beilstein Registry Number: 505960 EC 번호: 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

동의어

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

사양 및 순도

analytical standard, 1000ug/ml in methanol

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질

이름과 식별자

• Pubchem Sid: 528753740
• 정식 스마일: C(CCl)CCl
• IUPAC Name: 1,3-dichloropropane
• InChIKey: YHRUOJUYPBUZOS-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
• 이성체 SMILES: C(CCl)CCl
• WGK 독일: 1
• UN 번호: 1993
• 포장 그룹: I
• 분자량: 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
    • 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)

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

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

• 굴절률: n20/D 1.448 (lit.)
• 발화점(°C): 21°C
• 끓는점(°C): 122°C
• 녹는점(°C): −99 °C (lit.)
• 분자량: 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

참고 문헌

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]