isocianato di 3-fenilpropile - ≥95% , CAS No.68664-23-3

CAS: 68664-23-3 Cat. No.: B301366 Formula: C₁₀H₁₁NO Peso molecolare: 161.20 Numero EC: 689-568-4

GRADE & PURITY ≥95%

Synonyms

EN300-1265390 | SCHEMBL1149239 | WPABAKMRZCBXTO-UHFFFAOYSA-N | DTXSID10392382 | 1-(3-isocianatopropil)benzene | MFCD04039909 | Isocianato di 3-fenilpropile, 97% | F2160-0021 | (3-isocianatopropil)benzene | (3-isocianato-propil)-benzene | (3-isocianatoprop

Storage

Argon charged,Room temperature

Shipped In

Normale

Specifications

Sinonimi

EN300-1265390 | SCHEMBL1149239 | WPABAKMRZCBXTO-UHFFFAOYSA-N | DTXSID10392382 | 1-(3-isocianatopropil)benzene | MFCD04039909 | Isocianato di 3-fenilpropile, 97% | F2160-0021 | (3-isocianatopropil)benzene | (3-isocianato-propil)-benzene | (3-isocianatoprop

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488194395

Sorrisi canonici

C1=CC=C(C=C1)CCCN=C=O

IUPAC Name

3-isocyanatopropylbenzene

InChIKey

WPABAKMRZCBXTO-UHFFFAOYSA-N

INCHI

1S/C10H11NO/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

Isomeri SMILES

C1=CC=C(C=C1)CCCN=C=O

WGK Germania

3

Peso molecolare

161.20

Reaxy-Rn

3247693

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3247693&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: Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.5160 (lit.)
• Punto di ebollizione (°C): 238-239°C
• Peso molecolare: 161.200 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 161.084 Da
• Monoisotopic Mass: 161.084 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 68664-23-3, the molecular formula is C10H11NO, and the molecular weight is 161.20 g/mol. InChIKey WPABAKMRZCBXTO-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.