4,4'-디플루오로벤질

4,4'-Difluorobenzil

HCID 123072

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 579-39-5
표준 SMILES: O=C(C(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIKey: BRKULQOUSCHDGS-UHFFFAOYSA-N
분자식: C14H8F2O2
평균 분자량: 246.21 g/mol
단동위원소 질량: 246.04923594

이름 및 식별자

우선 이름: 4,4'-Difluorobenzil
IUPAC: 1,2-bis(4-fluorophenyl)ethane-1,2-dione
현지명: 4,4'-디플루오로벤질
영어명: 4,4'-Difluorobenzil
분자식: C14H8F2O2
분자량: 246.21

이름 및 동의어

4,4'-DifluorobenzilRefChem:506643628-355-2579-39-51,2-bis(4-fluorophenyl)ethane-1,2-dione4,4'-DifluorodibenzoylEthanedione, bis(4-fluorophenyl)-difluorobenzilMFCD00134541bis(4-fluorophenyl)ethane-1,2-dione1,2-Bis(4-fluorophenyl)-1,2-ethanedione4,4'-Difluorobenzil, 98%

이름 더 보기

4,4'-디플루오로벤질4,4'-FLUOROBENZILp,p'-Difluorobenzil4,4'- difluorobenzoyl4,4'-Difluorobenzil>4,4'-DIFLUOROBIBENZOYL4,4'-Difluorobenzil,99%4,4'-Difluorobenzil, 98+%BIS(P-FLUOROPHENYL)ETHANEDIONE

CHEMBL192410AKOS001076199D22921,2-Bis(4-fluorophenyl)-1,2-ethanedione #4,4 inverted exclamation mark -Difluorobenzil4,4'-Difluorobibenzoyl4,4'difluorobenzilBenzil-based compound, 8

데이터베이스 식별자

CAS: 579-39-5
PubChem CID: 123072
DTXSID: DTXSID3060374
ChEMBL: CHEMBL192410
EC Number: 628-355-2
Nikkaji: J534.077B

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 120 · 120-122 °C (lit.)
끓는 점: 370.2 · 370.2±27.0 °C(Predicted)
밀도: 1.3163 · 1.3163 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: Light orange to Yellow to Green
수용성: 물에 용해됩니다.
BRN: 1971736 · 1971736
InChI: InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey: BRKULQOUSCHDGS-UHFFFAOYSA-N
SMILES: C(C1=CC=C(F)C=C1)(=O)C(C1=CC=C(F)C=C1)=O
EPA: Ethanedione, bis(4-fluorophenyl)- (579-39-5)

화학적 성질

pale yellow 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

4,4'-Difluorobenzil: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Ethanedione, 1,2-bis(4-fluorophenyl)-: ACTIVE

응용 분야 · 2건

용도4,4′-Difluorobenzil is suitable for use in the preparation of 2,3-bis(4-fluorophenyl)thieno[3,4-b]pyrazine. It may be used in the synthesis of following:poly(ether-α-diketone)s, via nucleophilic substitution reaction with bisphenol A4,4′-difluoro-2,3-diphenylpyrazine (DPPF) and 4,4′-difluoro-5-methyl 2,3-diphenylpyrazine (MDPPF), via direct condensation with ethylenediamine and 1,2-diaminopropane, respectively2,3-bis(4-fluorophenyl)quinoxaline, via direct condensation with 1,2-phenylenediamine

일반 설명4,4′-Difluorobenzil is a benzil derivative. Its reaction with benzylurea and phenethylurea has been investigated. It is reported to undergo condensation with Fe2(SH)2(CO)6 to afford the adduct Fe2[S2C2(OH)2(C6H4-4-F)2](CO)6.