3-Methyl-3,4-dihydro-2H-1,4-benzoxazine (HCID 2763760)

Namen und Bezeichner

Bevorzugter Name: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
IUPAC: 3-methyl-3,4-dihydro-2H-1,4-benzoxazine
Englischer Name: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
Summenformel: C9H11NO
Molmasse: 149.19

Namen und Synonyme

3-methyl-3,4-dihydro-2H-1,4-benzoxazine32329-20-72H-1,4-Benzoxazine, 3,4-dihydro-3-methyl-DTXSID8044915UNII-LG21YE3V7LLG21YE3V7L3,4-dihydro-3-methyl-2H-1,4-benzoxazineDTXCID6024915RefChem:947503-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazineMFCD01935996SCHEMBL1146635

Weitere Namen anzeigen

3-Methyl-3,4-dihydro-2H-benzo[b]3-Methyl-3,4-dihydro-2H-1,4-benzoxazine (98%)

Tox21_3012412,3-dihydro-3-methyl-1,4-benzoxazine3-METHYL-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINECHEMBL3183910SCHEMBL12493493SCHEMBL29733711SBB086646AKOS005070238

Datenbank-Bezeichner

CAS: 32329-20-7
PubChem CID: 2763760
DTXSID: DTXSID8044915
ChEMBL: CHEMBL3183910
UNII: LG21YE3V7L
EC Number: 820-169-1
Nikkaji: J1.161.513I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Collision Cross Section130.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8044915]；131.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8044915]

Physikochemische Eigenschaften

Schmelzpunkt: 98 · 98-100°C
Siedepunkt: 165 °C · 165 °C(Press: 16 Torr)
Dichte: 1.04 · 1.040±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.44 · 4.44±0.40(Predicted)
EPA chemische Informationen: 2 H-1,4-Benzoxazine, · 2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl- (32329-20-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.