(2R)-2-(Phenoxymethyl)oxirane

HCID 1534344

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Grundinformationen

CAS: 71031-02-2
Standard-SMILES: c1ccc(OC[C@H]2CO2)cc1
InChIKey: FQYUMYWMJTYZTK-VIFPVBQESA-N
Summenformel: C9H10O2
Durchschnittliche Molmasse: 150,17 g/mol
Monoisotopische Masse: 150,06807956

Namen und Bezeichner

Bevorzugter Name: (2R)-2-(Phenoxymethyl)oxirane
IUPAC: (2R)-2-(phenoxymethyl)oxirane
Englischer Name: (R)-2-Oxiranylanisole
Summenformel: C9H10O2
Molmasse: 150.17

Namen und Synonyme

71031-02-2(2R)-2-(phenoxymethyl)oxiraneDTXSID901308155RefChem:397081DTXCID501738071(R)-Glycidyl phenyl ether(R)-2-(Phenoxymethyl)oxirane(R)-2-Oxiranylanisole(R)-glycidylphenyl etherMFCD06659025SCHEMBL1582872(r)-1,2-epoxy-3-phenoxypropane

Weitere Namen anzeigen

(2R)-2-(2-methoxyphenyl)oxiraneRPGE(R)-Phenoxymethyloxirane(R)-PHENYL GLYCIDYL ETHER(R)-GlycidylPhenylEther>(R)-2-Oxiranylanisole(R)-ALPHA-(2-OXIRANYL)ANISOLE

(R)-(-)-3-(phenyloxy)-1,2-epoxypropane(R)-2-Oxiranylanisole, >=97.0% (sum of enantiomers, GC)(R)-2-phenoxymethyl-oxiraneSCHEMBL3958467FQYUMYWMJTYZTK-VIFPVBQESA-N(R)-2-(PhAKOS016843868AC-18290

Datenbank-Bezeichner

CAS: 71031-02-2
PubChem CID: 1534344
DTXSID: DTXSID901308155
EC Number: 615-241-2
Nikkaji: J751.031D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 21,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Siedepunkt: 85 · 85-86 °C(Press: 0.8 Torr)
Dichte: 1.122 · 1.122±0.06 g/cm3(Predicted)
Brechungsindex: 1.529 to · 1.5290 to 1.5330
Flammpunkt: 71 °C · 71 °C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
InChI: 1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m0/s1
InChIKey: FQYUMYWMJTYZTK-VIFPVBQESA-N
SMILES: C1O[C@H]1COc2ccccc2
CAS Datenbank: 71031 · 71031-02-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

F: 10-23
wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29109000
risk_code: 45-20/21-37/38-41-43-52/53-68
hazard_code: T
safety_code: 53-26-36/37/39-45-61
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalCarc. 1BEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant involved in the synthesis of:Neuroprotective small moleculesPiperidinol analogs for studies of anti-tuberculosis activity2-Substituted 3,4-dihydro-2H-1,4-benzoxazines via cyclization of hydroxyl sulfonamidesBicyclic azetidines via ring opening, esterification, chlorination and intramolecular alkylationBromoalkanes via ring opening and addition across C-O bondsInvolved in biological studies as a substrate for Bacillus-produced enantioselective eposide hydrolase