CAS 32329-20-7 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine (HCID 2763760)

名称と識別子

優先名称: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
IUPAC: 3-methyl-3,4-dihydro-2H-1,4-benzoxazine
現地名: 3-メチル-3,4-ジヒドロ-2H-1,4-ベンゾキサジン
英語名: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
分子式: C9H11NO
分子量: 149.19

名称と別名

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

名称をさらに表示

3-メチル-3,4-ジヒドロ-2H-1,4-ベンゾキサジン3-メチル-3,4-ジヒドロ-2H-1,4-ベンゾオキサジン3-メチル-2,3-ジヒドロ-4H-1,4-ベンゾオキサジン3,4-ジヒドロ-3-メチル-2H-1,4-ベンゾオキサジン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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.1
極性表面積: 21.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 138

実験および物理化学的性質

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]

物理化学的性質

融点: 98 · 98-100°C
沸点: 165 °C · 165 °C(Press: 16 Torr)
比重(密度): 1.04 · 1.040±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 4.44 · 4.44±0.40(Predicted)
EPAの化学物質情報: 2 H-1,4-Benzoxazine, · 2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl- (32329-20-7)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

法規制情報

Regulatory Information · 2 件

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.