테트라히드로푸란-3-카르복스알데하이드98

3-Furancarboxaldehyde, tetrahydro-

HCID 157568CAS 79710-86-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=CC1CCOC1
InChIKey: GSUBXIVOZXWGKF-UHFFFAOYSA-N
분자식: C5H8O2
평균 분자량: 100.12 g/mol
단동위원소 질량: 100.0524295

이름 및 식별자

우선 이름: 3-Furancarboxaldehyde, tetrahydro-
IUPAC: oxolane-3-carbaldehyde
현지명: 테트라히드로푸란-3-카르복스알데하이드98
영어명: Tetrahydrofuran-3-carboxaldehyde
분자식: C5H8O2
분자량: 100.12

이름 및 동의어

Tetrahydrofuran-3-carbaldehyde79710-86-43-Furancarboxaldehyde, tetrahydro-tetrahydro-3-furancarboxaldehydeDTXSID60888563EC 629-664-5RefChem:502102DTXCID601027839629-664-5oxolane-3-carbaldehydeTETRAHYDROFURAN-3-CARBOXALDEHYDEtetrahydro-3-furancarbaldehyde

이름 더 보기

테트라히드로푸란-3-카르복스알데하이드983-Formyl-THFtetrahydro-3-furaldehyd3-formyltetrahydrofuranvtetrahydro-3-furancarbaldehydetetrahydro-3-furancarboxaldehyd

MFCD02101976tetrahydrofuran-3-carboxyaldehyde(oxolan-3-yl)formaldehydeSCHEMBL67754AKOS000121109CS-W004272SY046752Tetrahydrofuran-3-carbaldehyde, 50% in water

데이터베이스 식별자

CAS: 79710-86-4
PubChem CID: 157568
DTXSID: DTXSID60888563
ChEMBL: CHEMBL2228161
EC Number: 629-664-5
Nikkaji: J876.205H

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 70.5

물리화학적 성질

끓는 점: 99 °C · 99 °C
밀도: 1.106 g/mL · 1.106 g/mL at 25 °C
굴절률: 20 · n20/D 1.416
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
InChI: 1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2
InChIKey: GSUBXIVOZXWGKF-UHFFFAOYSA-N
SMILES: O=CC1CCOC1
EPA: 3 · 3-Furancarboxaldehyde, tetrahydro- (79710-86-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (72.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11049

Hazard Classes and CategoriesAcute Tox. 4 (72.6%)

안전 데이터

wgk: -
tsca: TSCA listed
HS 번호: 2912490090
risk_code: 5-19-41
hazard_code: Xi
safety_code: 26-36/37/39-39
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information3-Furancarboxaldehyde, tetrahydro-: ACTIVE

응용 분야 · 2건

용도2-(Tetrahydrofuran-3-yl)acetaldehyde is a reagent used in the preparation of several pharmaceutical agents. It is used in the prepoaration of ortho-amino benzamides and nicotinamides as MCHr1 (Melanin-concentrating hormone receptor 1) antagonists, used in the therapeutic treatment of obesity. Also used in the pereparation of Tsg101-directed HIV-1 budding antagonists for application towards late-stage HIV-1 infection.

일반 설명The product is a 50 wt.% solution of tetrahydrofuran-3-carboxaldehyde in water.