3,4-디플루오르벤즈알데히드

3,4-Difluorobenzaldehyde

HCID 588088CAS 34036-07-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(F)c(F)c1
InChIKey: JPHKMYXKNKLNDF-UHFFFAOYSA-N
분자식: C7H4F2O
평균 분자량: 142.1 g/mol
단동위원소 질량: 142.02302119

이름 및 식별자

우선 이름: 3,4-Difluorobenzaldehyde
IUPAC: 3,4-difluorobenzaldehyde
현지명: 3,4-디플루오르벤즈알데히드
영어명: 3,4-Difluorobenzaldehyde
분자식: C7H4F2O
분자량: 142.1

이름 및 동의어

3,4-Difluorobenzaldehyde34036-07-2DTXSID00343186RefChem:486027DTXCID60294266422-180-3608-940-9Benzaldehyde, 3,4-difluoro-MFCD000103283,4-difluoro-benzaldehyde3,4-difluoro-benzaldehyeAKOS000120438

이름 더 보기

3,4-다이플루오로벤즈알데하이드3,4-디플루오르벤즈알데히드벤즈알데히드3,4-다이플루오로벤즈알데하이드(3,4-DIFLUOROBENZALDEHYDE)3,4-Difluorobenzalde3,4-fluorobenzaldehyde3,4-Difluorbenzaldehyd3,4-DIFLOUROBENZALDEHYDE3,6-Difluoroacetophenone3, 4-2 fluoro benzaldehyde3,4-Difluorobenzaldehyde>Benzaldehyde, 3,4-difluoro-3,4-Difluorobenzaldehyde 98%

CS-W008607AC-3835D2340F2190-0603Z1044778003.4-difluorobenzaldehyde3,4-difluro-benzaldehyd3,4 difluorobenzaldehyde

데이터베이스 식별자

CAS: 34036-07-2
PubChem CID: 588088
DTXSID: DTXSID00343186
EC Number: 422-180-3、608-940-9
Nikkaji: J713.117H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

끓는 점: 53 · 53-55°C (15 mmHg)
밀도: 1.288 g/mL · 1.288 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5(lit.)
인화점: 150 °F · 150 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 3.962 g/L · 3.962g/L
물리적 상태: 액체
Specific Gravity: 1.288 · 1.288
색상: 무색~황색으로 투명함
BRN: 2241231 · 2241231
InChI: InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey: JPHKMYXKNKLNDF-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(F)C(F)=C1

화학적 성질

Light Yellow Clear Liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

유해성 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9158

Hazard Classes and Categories · 2건

Flam. Liq. 4 (33.3%)

Skin Irrit. 2 (100%)

안전 데이터

wgk: 2
HS 번호: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39-36/37
위험 등급: IRRITANT
기존화학 물질: KE-10542
F 고인화성물질: 10-21
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3,4-Difluorobenzaldehyde is used in the synthesis of fluorine-substituted analogs of Curcumin (C838500), as chemopreventive and/or therapeutic agents against cancers and/or against the development of drug-resistant cancer.

상·하류 제품 정보

상류 원료

클로로프로판(2-)3,4-Difluorotoluene 1-브로모-3,4-디플로로벤젠 N,N-다이메틸폼아마이드 마그네슘 아이오딘 테트라하이드로푸란

하류 제품

trans-3,4-Difluorocinnamic acid 3,4-Difluorohydrocinnamic acid (1R,2R)-2-(3,4-디플루오로페닐)시클로프로판카르복실산 Methyl 3,4-difluorobenzoate 3-Fluoro-4-(methylthio)benzaldehyde 2-아미노-1-(3,4-디플루오로페닐)에탄올 1-(3-BroMopropyl)-3,4-difluorobenzene 3-(4-fluorophenoxy)benzoic acid

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

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