6-플루오로-4-크로마논

6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one

HCID 2733262CAS 66892-34-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CCOc2ccc(F)cc21
InChIKey: SWBBIJZMIGAZHW-UHFFFAOYSA-N
분자식: C9H7FO2
평균 분자량: 166.15 g/mol
단동위원소 질량: 166.04300768

이름 및 식별자

우선 이름: 6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
IUPAC: 6-fluoro-2,3-dihydrochromen-4-one
현지명: 6-플루오로-4-크로마논
영어명: 6-Fluoro-4-chromanone
분자식: C9H7FO2
분자량: 166.15

이름 및 동의어

66892-34-06-Fluoro-2,3-dihydro-4H-1-benzopyran-4-oneEINECS 266-511-8DTXSID00217035RefChem:543107DTXCID00139526266-511-86-fluorochroman-4-one6-Fluoro-4-chromanone6-fluoro-2,3-dihydrochromen-4-one6-fluoro-2,3-dihydro-4h-chromen-4-oneMFCD00038654

이름 더 보기

6-플루오로-4-크로마논6-FLUOROCHROMANONE4H-1-Be6-F-4-chromanoneBUTTPARK 35\07-336-FLUOROCHROMANO-4-ONE6-Fluorochroman-4-one98%6-Fluoro-4-chromanone>6-Fluorochroman-4-one 98%

6-Fluoro-chroman-4-one6-Fluoro chroman-4-one6-fluoro-3,4-dihydro-2H-1-benzopyran-4-oneMaybridge1_0072524H-1-Benzopyran-4-one, 6-fluoro-2,3-dihydro-6-Fluoro-4-chromanone, 99%FS-1028SY012025

데이터베이스 식별자

CAS: 66892-34-0
PubChem CID: 2733262
DTXSID: DTXSID00217035
EC Number: 266-511-8
Nikkaji: J120.455F

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 114 · 114-116 °C (lit.)
끓는 점: 290 °C · 290°C (rough estimate)
밀도: 1.2247 · 1.2247 (estimate)
저장 조건: Store at room temperature
물리적 상태: powder to crystal
색상: Light yellow to Yellow to Orange
BRN: 4245390 · 4245390
InChI: 1S/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey: SWBBIJZMIGAZHW-UHFFFAOYSA-N
SMILES: Fc1ccc2OCCC(=O)c2c1

화학적 성질

Pink-rose crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.