기본 정보
- 표준 SMILES
O=CC1CCCO1- InChIKey
BBNYLDSWVXSNOQ-UHFFFAOYSA-N- 분자식
- C5H8O2
- 평균 분자량
- 100.12 g/mol
- 단동위원소 질량
- 100.0524295
이름 및 식별자
- 우선 이름
- Tetrahydro-2-furancarboxaldehyde
- IUPAC
- oxolane-2-carbaldehyde
- 현지명
- 테트라히드로-2-푸란카르복스알데히드
- 영어명
- Tetrahydro-2-furancarboxaldehyde
- 분자식
- C5H8O2
- 분자량
- 100.12
이름 및 동의어
tetrahydrofuran-2-carbaldehydeTetrahydro-2-furancarboxaldehydeRefChem:897081627-944-17681-84-7TetrahydrofurfuralTetrahydro-furan-2-carbaldehydeoxolane-2-carbaldehydeUSAF Q-4MFCD017261842-Furancarboxaldehyde, tetrahydro-2-FURALDEHYDE, TETRAHYDRO-
이름 더 보기
테트라히드로-2-푸란카르복스알데히드2-FormyltetrahydrofuranTetrahydro-2-furancarbaldehydeTetrahydro-furan-2-carbaldehyde oligomersTetrahydro-furan-2-carbaldehyde and its oligomersTetrahydro-furan-2-carbaldehyde, 50%w/w in toluene
NSC 97502BRN 0106552tetrahydrofuran-2-carboxaldehydeAI3-254335-17-09-00027 (Beilstein Handbook Reference)Furancarboxaldehyde, tetrahydro-NSC97502WLN: T5OTJ BVH
데이터베이스 식별자
- CAS
7681-84-7- PubChem CID
- 24354
- DTXSID
DTXSID00871196- EC Number
- 627-944-1
- Nikkaji
- J49.582D
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 26.3 Ų
- 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
- 142 °C · 142°C (estimate)
- 밀도
- 1.0874 · 1.0874
- 굴절률
- 1.4366 · 1.4366 (estimate)
- 물리적 상태
- liquid
- InChI
- InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2
- InChIKey
- BBNYLDSWVXSNOQ-UHFFFAOYSA-N
- SMILES
- O1CCCC1C=O
- LogP
- -0.308 · -0.308 (est)
- NIST
- -3 · Tetrahydrofuran-3-carbaldehyde(7681-84-7)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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
- WGK 3
- ridadr
- 1993
- HS 번호
- 2932190090
- 포장분류
- Ⅲ
- 위험 등급
- 3
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요Tetrahydro-furan-2-carbaldehyde is a useful research chemical for organic synthesis and other chemical processes. A tetrahydrofurfuryl derivative for use as flavour in foods.
용도Tetrahydro-2-furancarboxaldehyde is an aldehyde derivative and can be used as a pharmaceutical intermediate.
상·하류 제품 정보
상류 원료
하류 제품
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