(R)-(-)-1-(1-Naphthyl)ethyl Isocyanate - ≥90% , CAS No.42340-98-7

CAS: 42340-98-7 Cat. No.: R160894 Molecular Weight: 197.24 Beilstein Registry Number: 4181810 EC Number: 255-759-2 PubChem CID: 170633

GRADE & PURITY ≥90%

Synonyms

BS-43993 | Isocyanic acid (S)-(+)-1-(1-naphthyl)ethyl ester | (-)-.alpha.-(1-Naphthyl)ethyl isocyanate | MFCD00004015 | 1-((R)-1-isocyanato-ethyl)-naphthalene | R-(-)-1-(1-Naphthyl)ethyl isocyanate | DTXSID30195155 | (R)-(-)-1-(1-Naphthyl)ethyl isocyanate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

BS-43993 | Isocyanic acid (S)-(+)-1-(1-naphthyl)ethyl ester | (-)-.alpha.-(1-Naphthyl)ethyl isocyanate | MFCD00004015 | 1-((R)-1-isocyanato-ethyl)-naphthalene | R-(-)-1-(1-Naphthyl)ethyl isocyanate | DTXSID30195155 | (R)-(-)-1-(1-Naphthyl)ethyl isocyanate

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CC(C1=CC=CC2=CC=CC=C21)N=C=O
• IUPAC Name: 1-[(1R)-1-isocyanatoethyl]naphthalene
• InChIKey: GONOHGQPZFXJOJ-SNVBAGLBSA-N
• INCHI: 1S/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m1/s1
• Isomeric SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)N=C=O
• WGK Germany: 3
• PubChem CID: 170633
• Molecular Weight: 197.24
• Beilstein: 4181810
• Reaxy-Rn: 4181805

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Refractive Index: 1.61
• Specific Rotation[α]: -45° (C=5,Toluene)
• Flash Point(°F): 199.4 °F
• Flash Point(°C): 93°C(lit.)
• Molecular Weight: 197.230 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.084 Da
• Monoisotopic Mass: 197.084 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 257.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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