CAS 219823-47-9 Tetrahydrofuran-3-YL 4-methylbenzenesulfonate, (3R)- (HCID 11149197)

기본 정보

CAS: 219823-47-9
표준 SMILES: Cc1ccc(S(=O)(=O)O[C@@H]2CCOC2)cc1
InChIKey: WWCNXHYRAKUQDB-SNVBAGLBSA-N
분자식: C11H14O4S
평균 분자량: 242.29 g/mol

이름 및 식별자

우선 이름: Tetrahydrofuran-3-YL 4-methylbenzenesulfonate, (3R)-
IUPAC: [(3R)-oxolan-3-yl] 4-methylbenzenesulfonate
현지명: R)-3-(p-톨루엔설포닐)옥시테트라하이드로푸란
영어명: (R)-3-(p-toluenesulfonyl) oxytetrahydrofuran
분자식: C11H14O4S
분자량: 242.29

이름 및 동의어

219823-47-9(3R)-tetrahydrofuran-3-yl 4-methylbenzenesulfonateA4FND4P2YM(3R)-Oxolan-3-yl 4-methylbenzene-1-sulfonate(r)-toluene-4-sulfonic acid tetrahydrofuran-3-yl ester4-Methylbenzenesulfonic acid (3R)-oxolan-3-yl esterTetrahydrofuran-3-yl 4-methylbenzenesulfonate, (3R)-3-Furanol, tetrahydro-, 4-methylbenzenesulfonate, (3R)-3-Furanol, tetrahydro-, 3-(4-methylbenzenesulfonate), (3R)-RefChem:203253(R)-tetrahydrofuran-3-yl 4-methylbenzenesulfonateMFCD27947543

이름 더 보기

R)-3-(p-톨루엔설포닐)옥시테트라하이드로푸란Empagliflozin impurity 76(R)-Tetrahydrofuran-3-yl Tosylate(R)-(-)-3-tetrahydrofuranyl tosylate(3R)-oxolan-3-yl] 4-methylbenzenesulfonateTETRAHYDROFURAN-3-YL-(R)-TOLUENE-4-SULPHONATE(R )-tetrahydrafuran-3-yl-4-Melbenzene sulfonate(R)-3-(4-methylphenylsulfonyloxy)-tetrahydrofuran(R)-Tetrahydrofuran-3-yl 40-methylbenzenesulfonate

R)-3-(p-toluenesulfonyl) oxytetrahydrofuran[(3R)-oxolan-3-yl] 4-methylbenzenesulfonate(R)-tetrahydrofuran-3-yl4-methylbenzenesulfonate[(3R)-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate(R)-3-(p-toluenesulfonyl) oxytetrahydrofuran(R)-Toluene-4-sulfonic Acid Tetrahydrofuran-3-yl Ester; (3R)-Tetrahydro-3-furanol 4-Methylbenzenesulfonate;UNII-A4FND4P2YMEmpagliflozin Impurity 153

데이터베이스 식별자

CAS: 219823-47-9
PubChem CID: 11149197
UNII: A4FND4P2YM
EC Number: 978-084-1
Nikkaji: J1.633.364F

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 61 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 311

물리화학적 성질

녹는점: 38 · 38 - 40oC
끓는 점: 384.8 · 384.8±35.0 °C(Predicted)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

응용 분야

용도(3R)-Tetrahydrofuran-3-yl 4-Methylbenzenesulfonate is derived from (R)-(-)-3-Hydroxytetrahydrofuran (H957760), which is a versatile chemical reactant used in the synthesis of pharmaceutical agents.