Adiponitrile - ≥99%, acid ＜200 ppm, H₂O ＜100 ppm , CAS No.111-69-3

CAS: 111-69-3 Cat. No.: A463039 Fórmula: C₆H₈N₂ Peso molecular: 108.14 Beilstein Registry Number: 1740005 Número CE: 203-896-3

GRADE & PURITY ≥99%, acid ＜200 ppm, H₂O ＜100 ppm

Synonyms

Tox21_300026 | A0168 | Adiponitrile, 99% | Nitrile adipico [Italian] | ADIPONITRILE | Adipyldinitrile | Hexanedinitrile | InChI=1/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H | AI3-11080 | MLS002415709 | Adipinsaeuredinitril | HSDB 627 | NCGC00090882-01 | UNII-SYT33B891

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Visão geral

Description

The presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. Adiponitrile finds application as additive in lithium ion batteries.

Specifications

Sinónimos

Tox21_300026 | A0168 | Adiponitrile, 99% | Nitrile adipico [Italian] | ADIPONITRILE | Adipyldinitrile | Hexanedinitrile | InChI=1/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H | AI3-11080 | MLS002415709 | Adipinsaeuredinitril | HSDB 627 | NCGC00090882-01 | UNII-SYT33B891

Especificações e pureza

≥99%, acid ＜200 ppm, H₂O ＜100 ppm

Informações legais

Product of MU Ionic Solutions Corp

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

FedEx DG Service

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504751594

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751594

Sorrisos canónicos

C(CCC#N)CC#N

IUPAC Name

hexanedinitrile

InChIKey

BTGRAWJCKBQKAO-UHFFFAOYSA-N

INCHI

1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

SMILES isoméricas

C(CCC#N)CC#N

WGK Alemanha

1

RTECS

AV2625000

Número UN

2205

Grupo de embalagem

III

Peso molecular

108.14

Beilstein

1740005

Reaxy-Rn

1740005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740005&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble water，Soluble in ethanol 、methanol and chloroform
• Sensibilidade: Moisture sensitive
• Índice de refração: 1.437-1.439
• Ponto de inflamação (°F): 325.4 °F
• Ponto de inflamação (°C): 163℃
• Ponto de ebulição (°C): 295°C
• Ponto de fusão (°C): 1-3°C
• Peso molecular: 108.140 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 113.000
• 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