(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

Technical Data

Safety and Hazards

Computed Properties

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

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Related Functional Groups

Arenes

[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[90817-87-1]
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
[605-02-7]
1-Phenylnaphthalene
[127107-31-7]
1-Phenyl-1H-pyrazol-4-amine hydrochloride
[30879-49-3]
2'-Nitro-5'-hydroxyacetophenone
[90794-33-5]
Ethyl 2-(4-iodophenoxy)acetate

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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