Phenyl isothiocyanate（PITC） - for protein sequencing, ≥99% , CAS No.103-72-0

CAS: 103-72-0 Cat. No.: P110635 Formula: C₆H₅NCS Peso molecolare: 135.19 Beilstein Registry Number: 471392 Numero EC: 203-138-1

GRADE & PURITY for Protein sequencing, ≥99%

Synonyms

Phenyl isothiocyanate, Sigma Grade, 8.36 M, suitable for solid phase protein sequencing analysis, >=99% (GC), liquid | Phenyl thioisocyanate | AI3-09310 | BCP22726 | STL281854 | A800790 | Phenyl sothocyanate | Phenylsenfoel [German] | Phenyl isothiocyanat

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinonimi

Phenyl isothiocyanate, Sigma Grade, 8.36 M, suitable for solid phase protein sequencing analysis, >=99% (GC), liquid | Phenyl thioisocyanate | AI3-09310 | BCP22726 | STL281854 | A800790 | Phenyl sothocyanate | Phenylsenfoel [German] | Phenyl isothiocyanat

Specifiche e purezza

for protein sequencing, ≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

per il sequenziamento delle proteine

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 528771790
• Sorrisi canonici: C1=CC=C(C=C1)N=C=S
• IUPAC Name: isothiocyanatobenzene
• InChIKey: QKFJKGMPGYROCL-UHFFFAOYSA-N
• INCHI: 1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
• Isomeri SMILES: C1=CC=C(C=C1)N=C=S
• WGK Germania: 3
• RTECS: NX9275000
• Numero UN: 2927
• Gruppo di imballaggio: II
• Peso molecolare: 135.19
• Beilstein: 471392
• Reaxy-Rn: 471392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: isothiocyanate

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water, soluble in alcohol and ether.
• Sensibilità: Moisture Sensitive；heat sensitive
• Indice di rifrazione: 1.64918
• Punto di infiammabilità (°F): 190.4 °F
• Punto di infiammabilità (°C): 87℃
• Punto di ebollizione (°C): 221°C
• Punto di fusione (°C): -21°C
• Peso molecolare: 135.190 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.014 Da
• Monoisotopic Mass: 135.014 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 121.000
• 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