2,3-Dichloro-1-propanol - ≥98%(GC) , CAS No.616-23-9

CAS: 616-23-9 Cat. No.: D154496 Fórmula: C₃H₆Cl₂O Peso molecular: 128.98 Beilstein Registry Number: 1732060 Número CE: 210-470-0

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS005258351 | alpha,beta-Dichlorohydrin | MLS002415683 | .beta.-Dichlorohydrin | 2,3-DICHLOROPROPANOL | FT-0609536 | NCGC00090834-01 | 1,2-Dichloropropanol-3 | FT-0666618 | 88I7UKE7IM | 2,3-Dichloropropan-1-ol | Glycerol .alpha.,.beta.-dichlorohydrin |

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

2,3-Dichloro-1-propanol belongs to the group of chloropropanols.[2] Inhibitory effects of 2,3-dichloro-1-propanol on T cell both in vivo and in vitro is reported.[2] Improved enantioselective resolution of (R,S)-2,3-dichloro-1-propanol to (S)-2, 3-dichloro-1-propanol by whole cells of a recombinant Escherichia coli in n-heptane-aqueous biphasic system is reported.

Specifications

Sinónimos

AKOS005258351 | alpha,beta-Dichlorohydrin | MLS002415683 | .beta.-Dichlorohydrin | 2,3-DICHLOROPROPANOL | FT-0609536 | NCGC00090834-01 | 1,2-Dichloropropanol-3 | FT-0666618 | 88I7UKE7IM | 2,3-Dichloropropan-1-ol | Glycerol .alpha.,.beta.-dichlorohydrin |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488181511

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181511

Sorrisos canónicos

C(C(CCl)Cl)O

IUPAC Name

2,3-dichloropropan-1-ol

InChIKey

ZXCYIJGIGSDJQQ-UHFFFAOYSA-N

INCHI

1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2

SMILES isoméricas

C(C(CCl)Cl)O

WGK Alemanha

3

RTECS

UB1225000

Número UN

2810

Grupo de embalagem

I

Peso molecular

128.98

Beilstein

1732060

Reaxy-Rn

1732060

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732060&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Halohydrins
• Subclass: Chlorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorohydrins
• Alternative Parents: Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chlorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in water: Practically insoluble; Soluble in Acetone,Ether,Ethanol
• Índice de refração: 1.48
• Ponto de inflamação (°F): 199.4℉
• Ponto de inflamação (°C): 93°C
• Ponto de ebulição (°C): 182°C
• Peso molecular: 128.979 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 127.98 Da
• Monoisotopic Mass: 127.98 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 32.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1