(R)-(+)-Styrene oxide - ≥98%, ChiPros®, produced by BASF , CAS No.20780-53-4

CAS: 20780-53-4 Cat. No.: R432311 Molecular Weight: 120.15 Beilstein Registry Number: 1984 EC Number: 606-637-6

GRADE & PURITY ≥98%, ChiPros®, produced by BASF

Synonyms

(R)-(+)-Styrene oxide, 98% | Benzene, (epoxyethyl)-, (R)-(-)- | Oxirane, 2-phenyl-, (2R)- | S0516 | SMR000471848 | (+)-(R)-STYRENE OXIDE | Q27095270 | (R)-Phenylethylene oxide | R-STYRENE OXIDE | (+)-PHENYLOXIRANE | (2R)-2-phenyloxirane | BIDD:ER0688 | Z1

Storage

Room temperature

Specifications

Synonyms

(R)-(+)-Styrene oxide, 98% | Benzene, (epoxyethyl)-, (R)-(-)- | Oxirane, 2-phenyl-, (2R)- | S0516 | SMR000471848 | (+)-(R)-STYRENE OXIDE | Q27095270 | (R)-Phenylethylene oxide | R-STYRENE OXIDE | (+)-PHENYLOXIRANE | (2R)-2-phenyloxirane | BIDD:ER0688 | Z1

Specifications & Purity

≥98%, ChiPros®, produced by BASF

Legal Information

ChiPros is a registered trademark of BASF SE

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(O1)C2=CC=CC=C2
• IUPAC Name: (2R)-2-phenyloxirane
• InChIKey: AWMVMTVKBNGEAK-QMMMGPOBSA-N
• INCHI: 1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
• Isomeric SMILES: C1[C@H](O1)C2=CC=CC=C2
• WGK Germany: 3
• RTECS: CZ9625010
• Molecular Weight: 120.15
• Beilstein: 1984
• Reaxy-Rn: 108582
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108582&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: 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: styrene oxide

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.54
• Specific Rotation[α]: 33° (neat)
• Flash Point(°F): 176 °F
• Flash Point(°C): 80 °C
• Boil Point(°C): 194 °C
• Molecular Weight: 120.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.058 Da
• Monoisotopic Mass: 120.058 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.700
• 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