6-플루오로과트랄디하이드

2-Fluoro-4,5-dimethoxybenzaldehyde

HCID 603595CAS 71924-62-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(F)c(C=O)cc1OC
InChIKey: IBBYQNVXKFMSSI-UHFFFAOYSA-N
분자식: C9H9FO3
평균 분자량: 184.16 g/mol
단동위원소 질량: 184.05357237

이름 및 식별자

우선 이름: 2-Fluoro-4,5-dimethoxybenzaldehyde
IUPAC: 2-fluoro-4,5-dimethoxybenzaldehyde
현지명: 6-플루오로과트랄디하이드
영어명: 6-FLUOROVERATRALDEHYDE
분자식: C9H9FO3
분자량: 184.16

이름 및 동의어

2-Fluoro-4,5-dimethoxybenzaldehyde71924-62-4DTXSID50345312RefChem:472274DTXCID60296386676-950-06-Fluoroveratraldehyde4,5-DIMETHOXY-2-FLUOROBENZALDEHYDEMFCD000611082-fluoro-4,5-dimethoxy-benzaldehyde6-Fluoroveratraldehyde, 97%CK2097

이름 더 보기

6-플루오로과트랄디하이드6-Fluoroveratraldehyde,97%6-FLUOROVERATRALDEHYDE, 98+%3,4-DIMETHOXY-6-FLUOROBENZALDEHYDE6-Fluoro-3,4-dimethoxybenzaldehydeBenzaldehyde,2-fluoro-4,5-dimethoxy-2-Fluoro-4,5-dimethoxybenzaldehyde>4,5-Dimethoxy-2-fluorobenzaldehyde~2-Fluoro-4,5-dimethoxybenzaldehyde

F0441Benzaldehyde, 2-fluoro-4,5-dimethoxy-BCP15308FT-0621141A837360SCHEMBL71268SCHEMBL296364104.5-dimethoxy-2-fluorobenzaldehyde

데이터베이스 식별자

CAS: 71924-62-4
PubChem CID: 603595
DTXSID: DTXSID50345312
EC Number: 676-950-0
Nikkaji: J574.373G

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 93 · 93-97 °C(lit.)
끓는 점: 273.3 · 273.3±35.0 °C(Predicted)
밀도: 1.201 · 1.201±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
BRN: 2109343 · 2109343
InChI: InChI=1S/C9H9FO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3
InChIKey: IBBYQNVXKFMSSI-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=C(OC)C=C1F

화학적 성질

White to slightly yellow crystalline powder

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29122900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도6-Fluoroveratraldehyde is used in the preparation of 6-[18F]fluoroveratraldehyde via nucleophilic aromatic substitution by [18F]fluoride. It is also used in the preparation of key metabolites of 6-fluoro-DOPA.