2H-Pyran-3(4H)-one, dihydro-

HCID 90109CAS 23462-75-1

기본 정보

표준 SMILES: O=C1CCCOC1
InChIKey: URUUZIAJVSGYRC-UHFFFAOYSA-N
분자식: C5H8O2
평균 분자량: 100.12 g/mol
단동위원소 질량: 100.0524295

이름 및 식별자

우선 이름: 2H-Pyran-3(4H)-one, dihydro-
IUPAC: oxan-3-one
영어명: 2H-PYRAN-3(4H)-ONE, DIHYDRO-
분자식: C5H8O2
분자량: 100.12

이름 및 동의어

Dihydro-2H-pyran-3(4H)-one2H-Pyran-3(4H)-one, dihydro-Tetrahydropyran-3-one3-TetrahydropyranoneDTXSID40178015RefChem:90147DTXCID70100506813-813-8InChI=1/C5H8O2/c6-5-2-1-3-7-4-5/h1-4HURUUZIAJVSGYRC-UHFFFAOYSA-N23462-75-1oxan-3-one

이름 더 보기

DIHYDRO-PYRAN-3-ONEtetrahydro-2H-3-pyranoneTetrahydro-2H-pyran-3-one2H-PYRAN-3(4H)-ONE, DIHYD...2H-Pypan-3(4H)-one, dihydro-Dihydro-2H-pyran-3(4H)-one 97%

dihydropyran-3-oneMFCD001824262H-pyran-3(4H)-oneAKOS006282290PB27461DS-11715EN300-72286LEAD(II)ACETYLACETONATE

데이터베이스 식별자

CAS: 23462-75-1
PubChem CID: 90109
DTXSID: DTXSID40178015
EC Number: 813-813-8
Nikkaji: J113.106K

물성

구조 계산 물성

XLogP: 0
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 78.1

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds

물리화학적 성질

끓는 점: 55 °C · 55 °C(Press: 12 Torr)
밀도: 1.0856 g/cm3 · 1.0856 g/cm3
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 액체
색상: 무색
InChI: InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2
InChIKey: URUUZIAJVSGYRC-UHFFFAOYSA-N
SMILES: C1OCCCC1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H226 (40%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummarySee Tetrahydropyran and 3,4-Dihydropyran.

Hazard Classes and CategoriesFlam. Liq. 3 (40%)

안전 데이터

HS 번호: 2932990090
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도Dihydro-2H-pyran-3(4H)-one is a general chemical reagent used in the synthesis of pharmaceuticals such as the preparation of tetrahydropyran-2-yl chromans, a highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE) inhibitor.