2,3-Dihydro-4-methyl-1-phenyl-1H-phosphol-1-oxid
1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
Grundinformationen
- CAS
707-61-9- Standard-SMILES
CC1=CP(=O)(c2ccccc2)CC1- InChIKey
YMKWWHFRGALXLE-UHFFFAOYSA-N- Summenformel
- C11H13OP
- Durchschnittliche Molmasse
- 192,19 g/mol
- Monoisotopische Masse
- 192,07040167
Namen und Bezeichner
- Bevorzugter Name
- 1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
- IUPAC
- 4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
- Lokaler Name
- 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphol-1-oxid
- Englischer Name
- 3-Methyl-1-phenyl-2-phospholene 1-oxide
- Summenformel
- C11H13OP
- Molmasse
- 192.19
Namen und Synonyme
707-61-93-Methyl-1-phenyl-2-phospholene 1-oxide3-Methyl-1-phenyl-2-phospholene-1-oxide2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxideDTXSID0051497EINECS 211-901-5NSC 107634BRN 0609223DTXCID8031025RefChem:79914211-901-5
Weitere Namen anzeigen
3-Methyl-1-Phenyl-23-methyl-1-phenyl-2-phospholen1-oxide3-Methyl-1-Phenyl-2-Phosphelene 1-Oxide1-Phenyl-3-methyl-4,5-dihydro-1H-phosphole 1-oxide4-METHYL-1-PHENYL-2,3-DIHYDRO-1H-1LAMBDA5-PHOSPHOL-1-ONE-2-phosphoLene 1-Oxide4-methyl-1-phenyl-2,3-dihydro-13-METHYL-1-PHENYL-2-PHOSPHOLENE OXIDE
YMKWWHFRGALXLE-UHFFFAOYSA-N4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxideMFCD000145184-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide2-Phospholene, 3-methyl-1-phenyl-, 1-oxideC11H13OP4-methyl-1-phenyl-2,3-dihydrophosphole 1-oxide2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole, 1-oxide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 261
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Collision Cross Section141.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0051497]
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 · 58-62 °C
- Siedepunkt
- 150 °C/0.15 · 150 °C/0.15 mmHg (lit.)
- Dichte
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- Brechungsindex
- 20 · n20/D 1.5707(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Soluble in polar solvents.
- Aggregatzustand
- Lumps
- Farbe
- White to cream
- BRN
- 609223 · 609223
- InChI
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 165) of reports.
Warning
H302+H312+H332 (63%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2931499090
- RTECS-Nr.
- SZ6105100
- risk_code
- 20/21/22-36/37/38-40
- hazard_code
- Xn
- safety_code
- 26-28-36/37/39-45
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide: ACTIVE
Anwendungen
Verwenden3-Methyl-1-phenyl-2-phospholene 1-oxide is used as a catalyst for intramolecular aza-wittig cyclization reactions and polymerization reactions. It is a reactant used for the preparation of phospha sugars and their radical bromination derivatives as anticancer agents.
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