3-플루오로-4-하이드록시-5-메톡시벤즈알데하이드

3-Fluoro-4-hydroxy-5-methoxybenzaldehyde

HCID 598452CAS 79418-78-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(C=O)cc(F)c1O
InChIKey: OOGOFUKAJDPHDJ-UHFFFAOYSA-N
분자식: C8H7FO3
평균 분자량: 170.14 g/mol
단동위원소 질량: 170.0379223

이름 및 식별자

우선 이름: 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
IUPAC: 3-fluoro-4-hydroxy-5-methoxybenzaldehyde
현지명: 3-플루오로-4-하이드록시-5-메톡시벤즈알데하이드
영어명: 3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYDE
분자식: C8H7FO3
분자량: 170.14

이름 및 동의어

3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-3DTXSID70344640RefChem:93909DTXCID80295715624-138-15-FluorovanillinMFCD02683560Benzaldehyde, 3-fluoro-4-hydroxy-5-methoxy-3-fluoro-4-hydroxy-5-methoxy-benzaldehyde3-Fluoro-4-hydroxy-5-methoxybenzene3-fluoro-4-hydroxy-5-methoxy benzaldehyde

이름 더 보기

3-플루오로-4-하이드록시-5-메톡시벤즈알데하이드3-플루오로-4-하이드록시-5-메톡시벤잘데하이드3-FLUORO-4-HYDROXY-5-METHOXYBENZALDEHYD&

CL8325AKOS0052571663-Fluoro-4-hydroxy-5-methoxybenzaldehyde #3-Fluoro-4-hydroxy-5-methoxybenzaldehyde, 97%3-Fluoro-4-hydroxy-5-methoxybenzaldehyde; 3-Fluoro-5-methoxy-4-hydroxybenzaldehyde; 5-Fluoro-4-hydroxy-3-methoxybenzaldehyde; 5-Fluorovanillin;AM84048A9908FT-0601958

데이터베이스 식별자

CAS: 79418-78-3
PubChem CID: 598452
DTXSID: DTXSID70344640
EC Number: 624-138-1

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 162

실험 및 물리화학적 성질

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 114 · 114-118 °C (lit.)
끓는 점: 114 · 114-118℃
밀도: 1.331 · 1.331±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 6.54 · 6.54±0.23(Predicted)
물리적 상태: 가루
색상: 옐로에서 옅은 갈색까지
InChI: InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey: OOGOFUKAJDPHDJ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=C(O)C(F)=C1

화학적 성질

white to light yellow crystal 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 41 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2913000090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Fluoro-4-hydroxy-5-methoxybenzaldehyde is a reagent in the synthesis of series of caffeic acid phenethyl amide (CAPA) fluorinated derivatives.

일반 설명3-Fluoro-4-hydroxy-5-methoxybenzaldehyde is an aryl fluorinated building block.

상·하류 제품 정보

상류 원료

Benzenemethanaminium, 3-fluoro-4-hydroxy-5-methoxy-N,N,N-trimethyl-, iodide (1:1)2-FLUORO-6-METHOXYPHENOL 2-Fluoro-6-methoxy-4-methylphenol 트리플루오로아세트 산 모노에틸렌글리콜 산소, 냉각된 액체 수산화나트륨

공급사50 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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