(R)-phenyloxirane - CAS 20780-53-4
Catalog: |
BB054595 |
Product Name: |
(R)-phenyloxirane |
CAS: |
20780-53-4 |
Synonyms: |
(R)-Styrene oxide; R-Phenyloxirane; (R)-2-phenyloxirane; (R)-(Epoxyethyl)benzene; (R)-Phenylethylene oxide; (R)-1,2-Epoxyethylbenzene |
IUPAC Name: | (2R)-2-phenyloxirane |
Description: | Main metabolite of Styrene, catalyzed by epoxide hydrolase. |
Molecular Weight: | 120.15 |
Molecular Formula: | C8H8O |
Canonical SMILES: | C1C(O1)C2=CC=CC=C2 |
InChI: | InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1 |
InChI Key: | AWMVMTVKBNGEAK-QMMMGPOBSA-N |
Boiling Point: | 192-195°C |
Melting Point: | -37°C |
Purity: | 95% |
Density: | 1.051 g/mL |
Solubility: | Soluble in Chloroform |
Appearance: | Colorless to Light Yellow Liquid |
Storage: | 2-8°C |
GHS Hazard Statement: | H312 (98.21%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H350 (100%): May cause cancer [Danger Carcinogenicity] |
Precautionary Statement: | P203, P264+P265, P280, P302+P352, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P405, and P501 |
Signal Word: | Danger |
Complexity: | 94.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.057514874 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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