2,5-DIMETHOXY-3-테트라하이드로퓨란카복스알데하이드

Tetrahydro-2,5-dimethoxyfuran-3-carbaldehyde

HCID 567310CAS 50634-05-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC1CC(C=O)C(OC)O1
InChIKey: QMIGEDXMDGEZSR-UHFFFAOYSA-N
분자식: C7H12O4
평균 분자량: 160.17 g/mol
단동위원소 질량: 160.07355886

이름 및 식별자

우선 이름: Tetrahydro-2,5-dimethoxyfuran-3-carbaldehyde
IUPAC: 2,5-dimethoxyoxolane-3-carbaldehyde
현지명: 2,5-DIMETHOXY-3-테트라하이드로퓨란카복스알데하이드
영어명: 2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde
분자식: C7H12O4
분자량: 160.17

이름 및 동의어

EINECS 256-668-0Tetrahydro-2,5-dimethoxyfuran-3-carbaldehydeRefChem:897073256-668-050634-05-42,5-dimethoxyoxolane-3-carbaldehyde2,5-dimethoxytetrahydrofuran-3-carbaldehyde2,5-DIMETHOXY-3-TETRAHYDROFURANCARBOXALDEHYDEMFCD000102833-formyl-2,5-dimethoxytetrahydrofuran2,5-Dimethoxy-3-tetrahydrofurancarbaldehyde2,5-dimethoxytetrahydro-3-furancarboxaldehyde

이름 더 보기

2,5-DIMETHOXY-3-테트라하이드로퓨란카복스알데하이드TIMTEC-BB SBB0039682,5-DiMe-3-4Hfurancarboxaldehyde2,5-dimethoxy-3-formyltetrahydrofuranTetrahydro-2,5-dimethoxy-3-furancarbaldehyde

tetrahydro-2,5-dimethoxy-3-furancarboxaldehyde2,5-Dimethoxy-3-tetrahydrofuran carboxaldehyde2,5-Dimethoxytetrahydro-3-furancarboxaldehyde, Technical Grade2,5-Dimethoxy-3-formyltetrahydrofuran; 2,5-Dimethoxy-tetrahydro-furan-4-carboxaldehyde; 3-Formyl-2,5-dimethoxytetrahydrofuran; Tetrahydro-2,5-dimethoxy-3-furancarboxaldehyde2,5-dimethoxy-tetrahydrofuran-3-carboxaldehydeSCHEMBL272746DTXSID20964872STR03845

데이터베이스 식별자

CAS: 50634-05-4
PubChem CID: 567310
DTXSID: DTXSID20964872
EC Number: 256-668-0
Nikkaji: J261.567C

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 89 °C12 · 89 °C12 mm Hg(lit.)
밀도: 1.129 g/mL · 1.129 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4401(lit.)
인화점: 178 °F · 178 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
Specific Gravity: 1.129 · 1.129
색상: 투명한 노란색에서 갈색까지

화학적 성질

clear yellow to brown liquid

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29321900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39

화학 및 산업

응용 분야

용도2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde was used in the synthesis of 9-(3-formylpyrrol-1-yl) ester by reacting with ethyl 9-amino-4,5-dihydro-4-oxo-1,2,4- triazolo[1,5-a]quinoxaline-2-carboxylate.