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

CAS: 142-28-9 Cat. No.: D140761 Fórmula: C₃H₆Cl₂ Peso molecular: 112.99 Beilstein Registry Number: 505960 Número CE: 205-531-3

GRAU & PUREZA 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

Especificações

Sinónimos

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

Especificações e pureza

analytical standard, 1000ug/ml in methanol

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528753740

Sorrisos canónicos

C(CCl)CCl

IUPAC Name

1,3-dichloropropane

InChIKey

YHRUOJUYPBUZOS-UHFFFAOYSA-N

INCHI

1S/C3H6Cl2/c4-2-1-3-5/h1-3H2

SMILES isoméricas

C(CCl)CCl

WGK Alemanha

1

Número UN

1993

Grupo de embalagem

I

Peso molecular

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
    • 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)

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)

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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

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: n20/D 1.448 (lit.)
• Ponto de inflamação (°C): 21°C
• Ponto de ebulição (°C): 122°C
• Ponto de fusão (°C): −99 °C (lit.)
• Peso molecular: 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