CAS 217817-01-1 Tos-PEG4-t-butyl ester (HCID 60146205)

기본 정보

CAS: 217817-01-1
표준 SMILES: Cc1ccc(S(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)C)cc1
InChIKey: AAQWIVKRAHBPDM-UHFFFAOYSA-N
분자식: C20H32O8S
평균 분자량: 432.5 g/mol
단동위원소 질량: 432.18178898

이름 및 식별자

우선 이름: Tos-PEG4-t-butyl ester
IUPAC: tert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoate
현지명: Tos-PEG4-t-부틸에스테르
영어명: Tos-PEG4-t-butyl ester
분자식: C20H32O8S
분자량: 432.53

이름 및 동의어

Tos-PEG4-t-butyl esterRefChem:898626875-653-5217817-01-1MFCD22201544Tos-PEG3-CH2CH2COOtBuTos-PEG4-t-butyl ester (Tos-PEG4-Boc)1,1-Dimethylethyl 3-[2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethoxy]propanoate3-(2-{2-[2-(Toluene-4-sulfonyloxy)-ethoxy]-ethoxy}-ethoxy)-propionic acid tert-butyl estertert-butyl 3-(2-(2-(2-(tosyloxy)ethoxy)ethoxy)ethoxy)propanoatetert-butyl 3-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]propanoatetert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoate

이름 더 보기

Tos-PEG4-t-부틸에스테르Tos-PEG3-COOtBuPropanoic acid, 3-[2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethoxy]-, 1,1-dimethylethyl ester

Propanoic acid,3-[2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethoxy]-,1,1-dimethylethyl esterTOS-PEG3-T-BUTYLESTERtert-Butyl 3-[2-[2-[2-(Tosyloxy)ethoxy]ethoxy]ethoxy]propanoateTos-PEG4-BocSCHEMBL40180orb1909254AAQWIVKRAHBPDM-UHFFFAOYSA-NDTXSID701120878

데이터베이스 식별자

CAS: 217817-01-1
PubChem CID: 60146205
DTXSID: DTXSID701120878
EC Number: 875-653-5

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 106 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 16
무거운 원자 수: 29
형식 전하: 0
복잡도: 542

물리화학적 성질

끓는 점: 528.5 · 528.5±45.0 °C(Predicted)
밀도: 1.154 · 1.154±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: Liquid
색상: Colorless to light yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.