2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane

HCID 94684CAS 80443-63-6

기본 정보

표준 SMILES: CC(C)(C)C1(CCc2ccc(Cl)cc2)CO1
InChIKey: QLCGXXYDHCTVKP-UHFFFAOYSA-N
분자식: C14H19ClO
평균 분자량: 238.75 g/mol
단동위원소 질량: 238.11244291

이름 및 식별자

우선 이름: 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane
IUPAC: 2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane
영어명: 2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
분자식: C14H19ClO
분자량: 238.75

이름 및 동의어

80443-63-62-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxiraneDTXSID5042247XUC5FVS02CDTXCID3022247Oxirane, 2-(2-(4-chlorophenyl)ethyl)-2-(1,1-dimethylethyl)-2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxiraneOxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-2-[2-(4-CHLOROPHENYL)ETHYL]-2-(1,1-DIMETHYLETHYL)OXIRANERefChem:483613617-070-9

이름 더 보기

Pentazolol epoxyEPOXIDE-INTERMEDIATEOxirane(tebuconazole intermediate)2-[4-(4-chlorophenyl)butan-2-yl]oxirane2-(4-Chlorophenethyl)-2-tert-butyloxirane2-(tert-Butyl)-2-(4-chlorophenethyl)oxirane2-(4-Chlorophenethyl)-2-tert-butylepoxyethane2-[2-(4-CHLOROPHENYL)ETHYL-(1,1-DIMETHYL)]OXIRANE

2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxiraneTox21_301539MFCD019383452-(4-chloro-phenylethyl)-2-tert.-butyl-oxirane2-tert.-butyl-2-(4-chloro-phenyl-ethyl)-oxiraneQ27894141Tebuconazol precursor2-tert-Butyl-2-(4-chlorophenethyl)oxirane

데이터베이스 식별자

CAS: 80443-63-6
PubChem CID: 94684
DTXSID: DTXSID5042247
ChEMBL: CHEMBL3184534
UNII: XUC5FVS02C
EC Number: 617-070-9
Nikkaji: J1.584.467A

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 302.1 · 302.1±15.0 °C(Predicted)
밀도: 1.06 · 1.06
굴절률: 1.515 · 1.5150-1.5190
저장 조건: Refrigerator
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 기름
색상: 무색
EPA: 2 · Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)- (80443-63-6)

안전 및 규제

유해성 정보

Regulatory Information · 2건

Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)- 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.