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

이름 및 식별자

우선 이름: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
IUPAC: 3-methyl-3,4-dihydro-2H-1,4-benzoxazine
현지명: 3-메틸-3,4-디하이드로-2H-1,4-벤조옥사진
영어명: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
분자식: C9H11NO
분자량: 149.19

이름 및 동의어

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

이름 더 보기

3-메틸-3,4-디하이드로-2H-1,4-벤조옥사진3-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: 98 · 98-100°C
끓는 점: 165 °C · 165 °C(Press: 16 Torr)
밀도: 1.04 · 1.040±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 4.44 · 4.44±0.40(Predicted)
EPA: 2 H-1,4-Benzoxazine, · 2H-1,4-Benzoxazine, 3,4-dihydro-3-methyl- (32329-20-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

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.