3-플루오로-4-메톡시벤즈알데히드

3-Fluoro-p-anisaldehyde

HCID 67696CAS 351-54-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C=O)cc1F
InChIKey: SOQCZBSZZLWDGU-UHFFFAOYSA-N
분자식: C8H7FO2
평균 분자량: 154.14 g/mol
단동위원소 질량: 154.04300768

이름 및 식별자

우선 이름: 3-Fluoro-p-anisaldehyde
IUPAC: 3-fluoro-4-methoxybenzaldehyde
현지명: 3-플루오로-4-메톡시벤즈알데히드
영어명: 3-Fluoro-4-methoxybenzaldehyde
분자식: C8H7FO2
분자량: 154.14

이름 및 동의어

3-Fluoro-4-methoxybenzaldehyde351-54-23-Fluoro-p-anisaldehydeEINECS 206-514-3SOQCZBSZZLWDGU-UHFFFAOYSA-DTXSID20188596RefChem:501926DTXCID80111087206-514-3InChI=1/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3MFCD000033493-fluoro-4-anisaldehyde

이름 더 보기

3-플루오로-4-메톡시벤즈알데히드3-Fluoroanisaldehyde3-fluoro-para-anisaldehyde3-Fluoro-p-anisaldehyde>3-FLUORO-4-METHOXYBENZALDEHYDE4-Methoxy-3-fluorobenzaldehyde3-Fluoro-4-methoxybenzaldehyde,98%3-fluoro-4-methoxybenzaldehyde(SALTDATA: FREE)

Benzaldehyde, 3-fluoro-4-methoxy-3-fluoro-4-methoxy-benzaldehydeK2CG7GUS9W3-fluoro-4-methoxy benzaldehyde3-Fluoro-p-anisaldehyde;4-Methoxy-3-fluorobenzaldehyde;3-fluoro-anisaldehydeUNII-K2CG7GUS9W

데이터베이스 식별자

CAS: 351-54-2
PubChem CID: 67696
DTXSID: DTXSID20188596
UNII: K2CG7GUS9W
EC Number: 206-514-3
Nikkaji: J35C

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 34 · 34-35 °C (lit.)
끓는 점: 129 · 129-132°C 11mm
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 투명 무색
BRN: 1942621 · 1942621
InChI: InChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey: SOQCZBSZZLWDGU-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(OC)C(F)=C1

화학적 성질

white to light yellow low melting crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28403

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29130000
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36
위험 등급: IRRITANT, AIR SENSITIVE
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도3-Fluoro-4-methoxybenzaldehyde is a useful reagent in the synthesis of resveratrol derivatives as potent inhibitors of lysine specific demethylase 1 (LSD1), a therapeutic target for cancer treatment and other related diseases. Also a reagent for the synthesis of substituted pyrazolyl piperidine derivatives as antiplatelet agents with antiplatelet aggregation activity in the human body.

일반 설명The nuclear magnetic resonance spectral parameters for 3-Fluoro-4-methoxybenzaldehyde has been studied.