(S)-(+)-3-하이드록시 사하이드로 퓨란

(S)-(+)-3-Hydroxytetrahydrofuran

HCID 2733227

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86087-23-2
표준 SMILES: O[C@H]1CCOC1
InChIKey: XDPCNPCKDGQBAN-BYPYZUCNSA-N
분자식: C4H8O2
평균 분자량: 88.11 g/mol
단동위원소 질량: 88.0524295

이름 및 식별자

우선 이름: (S)-(+)-3-Hydroxytetrahydrofuran
IUPAC: (3S)-oxolan-3-ol
현지명: (S)-(+)-3-하이드록시 사하이드로 퓨란
영어명: (S)-(+)-3-Hydroxytetrahydrofuran
분자식: C4H8O2
분자량: 88.11

이름 및 동의어

(S)-(+)-3-Hydroxytetrahydrofuran86087-23-2(S)-3-Hydroxytetrahydrofurane(+)-3-HYDROXYTETRAHYDROFURANDTXSID50893863RefChem:407622DTXCID401323902425-090-2617-795-0(3S)-oxolan-3-ol(S)-Tetrahydrofuran-3-ol(S)-3-Hydroxytetrahydrofuran

이름 더 보기

(S)-(+)-3-하이드록시사하이드로퓨란3-하이드록시테트라하이드로퓨란Afatinib intermediate(S)-3-hydroxytetyrahydrofurane(S)-(-)-3-HYDROXY TETRAHYDRO FURANS-HTHFOxolane-3β-ol(S)-Hydroxy THF

(S)-TETRAHYDRO-3-FURANOLMFCD00064327(S)-(+)-Tetrahydro-3-furanol3-Furanol, tetrahydro-, (3S)-(3S)-TETRAHYDROFURAN-3-OLAfatinib Impurity 51(S) 3-Hydroxytetrahydrofuran3-Hydroxytetrahydrofuran, (S)-

데이터베이스 식별자

CAS: 86087-23-2
PubChem CID: 2733227
DTXSID: DTXSID50893863
UNII: 3E76E9MC2H
EC Number: 425-090-2、617-795-0
Nikkaji: J146.588K

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 44.8

물리화학적 성질

끓는 점: 80 °C/15 · 80 °C/15 mmHg (lit.)
밀도: 1.103 g/mL · 1.103 g/mL at 25 °C (lit.)
증기압: 47 Pa · 47Pa at 25℃
굴절률: 20 · n20/D 1.45(lit.)
인화점: 175 °F · 175 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
산도 계수 (pKa): 14.49 · 14.49±0.20(Predicted)
물리적 상태: 액체
Specific Gravity: 1.11 · 1.11
색상: 무색~담황색 투명
수용성: 녹는
BRN: 4652609 · 4652609
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1
InChIKey: XDPCNPCKDGQBAN-BYPYZUCNSA-N
SMILES: O[C@H]1CCOC1
LogP: -0.784 at · -0.784 at 22℃ and pH6.8
표면장력: 72 mN/m · 72mN/m at 1g/L and 25℃

화학적 성질

Colourless Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.

Warning

H315 (98.2%): 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)

Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8418

Hazard Classes and CategoriesSkin Irrit. 2 (98.2%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

개요(S)-(+)-3-Hydroxytetrahydrofuran (3-OH THF) is a colorless liquid with a normal boiling point of 179 °C and boiling at 88-89 °C at 17 mmHg, with density (1.087 g/cm3 at 19 °C). 3-OH THF is a useful pharmaceutical intermediate. The chiral (absolute configuration S) version of this compound is an intermediate to launched retroviral drugs.

용도(S)-(+)-3-Hydroxytetrahydrofuran is a useful reagent for the preparation of pyrazolo triazin ylamine derivatives as adenosine receptor antagonists.