5-플루오로살리실알데하이드

5-Fluorosalicylaldehyde

HCID 2737328

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 347-54-6
표준 SMILES: O=Cc1cc(F)ccc1O
InChIKey: FDUBQNUDZOGOFE-UHFFFAOYSA-N
분자식: C7H5FO2
평균 분자량: 140.11 g/mol
단동위원소 질량: 140.02735756

이름 및 식별자

우선 이름: 5-Fluorosalicylaldehyde
IUPAC: 5-fluoro-2-hydroxybenzaldehyde
현지명: 5-플루오로살리실알데하이드
영어명: 5-Fluorosalicylaldehyde
분자식: C7H5FO2
분자량: 140.11

이름 및 동의어

5-FluorosalicylaldehydeF-SA compoundRefChem:5357965-Fluoro-2-hydroxybenzaldehyde347-54-6MFCD010909972-hydroxy-5-fluoro-benzaldehydeDTXSID50371994STL112266AKOS000346037SY003760EN300-50297

이름 더 보기

5-플루오로살리실알데하이드5-플루오로살리실알데히드5-FluoroSalicylicAldehyde5-Fluorosalicylaldehyde>5-Fluorosalicylaldehyde 97%5-FLUORO-2-HYDROXYBENZALDEHY5-Fluorosalicylaldehyde, 98+%5-Fluorosalicylaldehyde, 97%,5-Fluoro-2-hydroxybenzaldehyde,97%

Z415638796Benzaldehyde, 5-fluoro-2-hydroxy-5-fluoro-2-hydroxy-benzaldehyde2-hydroxy-5-fluorobenzaldehydeBCP184385-fluoro salicylaldehydeAM20040233FT-0631996

데이터베이스 식별자

CAS: 347-54-6
PubChem CID: 2737328
DTXSID: DTXSID50371994
EC Number: 626-267-9
Nikkaji: J612.214K

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 82 · 82-85 °C (lit.)
끓는 점: 56 °C · 56 °C / 1mmHg
밀도: 1.35 · 1.350±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.18 · 8.18±0.18(Predicted)
물리적 상태: 분말 또는 플레이크
색상: White to Orange to Green
InChI: InChI=1S/C7H5FO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChIKey: FDUBQNUDZOGOFE-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(F)=CC=C1O

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
HS 번호: 29130000
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 · 2건

용도5-Fluorosalicylaldehyde may be used to synthesize:managanese (III) complex [MnLa(μ1,3-N3)]n [H2La = N,N′-bis(5-fluorosalicylidene)-1,2-diaminoethane]enantiopure 4-amino-6-fluoro-3-(hydroxymethyl)chromanes4,4′-difluoro-2,2′-[(hydrazine-1,2-diylidene)bis(methanylylidene)]-diphenolN,N′-bis(5-fluoro-2-hydroxybenzylidene)ethylenediamineN,N′-(2-hydroxypropane-1,3-diyl)-bis(salicylaldimine (H2L)

일반 설명5-Fluorosalicylaldehyde can be synthesized from 4-fluorophenol.