Tiocianato de etilo - ≥98%(GC) , CAS No.542-90-5

CAS: 542-90-5 Cat. No.: E156402 Fórmula: C₃H₅NS Peso molecular: 87.14 Beilstein Registry Number: 1737620 Número CE: 208-833-3

GRADE & PURITY ≥98%(GC)

Synonyms

Rodanato de etilo | TIOCIANATO DE ETILO [HSDB] | ÁCIDO TIOCIÂNICO, ÉSTER ETÍLICO DE ETANO,1-TIOCIANO | Rodanato de etilo | EINECS 208-833-3 | PF9AD5G86Z | AI3-18429 | NSC 8827 | NSC 8827 | NSC 8827 | Q5404512 | EN300-315937 | AKOS015897514

Storage

Argon charged,Room temperature

Shipped In

FedEx DG Service

Visão geral

Aplicação

O tiocianato de etilo foi utilizado na síntese de cianeto de hidrogénio por redução in situ com ditiotreitol.

Specifications

Sinónimos

Rodanato de etilo | TIOCIANATO DE ETILO [HSDB] | ÁCIDO TIOCIÂNICO, ÉSTER ETÍLICO DE ETANO,1-TIOCIANO | Rodanato de etilo | EINECS 208-833-3 | PF9AD5G86Z | AI3-18429 | NSC 8827 | NSC 8827 | NSC 8827 | Q5404512 | EN300-315937 | AKOS015897514

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

FedEx DG Service

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 508815316
• Sorrisos canónicos: CCSC#N
• IUPAC Name: ethyl thiocyanate
• InChIKey: WFCLYEAZTHWNEH-UHFFFAOYSA-N
• INCHI: 1S/C3H5NS/c1-2-5-3-4/h2H2,1H3
• SMILES isoméricas: CCSC#N
• WGK Alemanha: 3
• RTECS: XK9900000
• Número UN: 2929
• Grupo de embalagem: I
• Peso molecular: 87.14
• Beilstein: 1737620
• Reaxy-Rn: 1737620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737620&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thiocyanates
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiocyanates
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiocyanates. These are salts or esters of thiocyanic acid, with the general formula RSC#N (R=alkyl, aryl).
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Índice de refração: 1.46
• Ponto de inflamação (°F): 107.6 °F
• Ponto de inflamação (°C): 42°C(lit.)
• Ponto de ebulição (°C): 145°C
• Peso molecular: 87.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.0143 Da
• Monoisotopic Mass: 87.0143 Da
• Topological Polar Surface Area: 49.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 51.200
• 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