4,4'-디플루오로벤즈히드롤

4,4'-Difluorobenzhydryl alcohol

HCID 123049CAS 365-24-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey: WCTZPQWLFWZYJE-UHFFFAOYSA-N
분자식: C13H10F2O
평균 분자량: 220.21 g/mol
단동위원소 질량: 220.06997138

이름 및 식별자

우선 이름: 4,4'-Difluorobenzhydryl alcohol
IUPAC: bis(4-fluorophenyl)methanol
현지명: 4,4'-디플루오로벤즈히드롤
영어명: 4,4'-Difluorobenzhydrol
분자식: C13H10F2O
분자량: 220.21

이름 및 동의어

Bis(4-fluorophenyl)methanol4,4'-Difluorobenzhydrol365-24-24,4'-Difluorobenzhydryl alcoholEINECS 206-671-8DTXSID90189999Benzenemethanol, 4-fluoro-alpha-(4-fluorophenyl)-RefChem:506642Bis(4fluorophenyl)carninolBis(4fluorophenyl)methanol4,4'Difluorobenzhydryl alcoholDTXCID00112490

이름 더 보기

4,4'-디플루오로벤즈히드롤4,4'-Difluorobenzhyd4’4-DifluorobenzhydrdLABOTEST-BB LT00233218Flunarizine Impurity 8Flunarizine Impurity 42,4-pyridinediolC5H5NO2Difluorodiphenylmethanol4,4'-difluorodibenzohydrol

Benzenemethanol, 4fluoroalpha(4fluorophenyl)206-671-8MFCD00000357Bis-(4-fluorophenyl)-methanolBenzenemethanol, 4-fluoro-a-(4-fluorophenyl)-bis(4-fluorophenyl)methan-1-ol4,4-difluorobenzhydrolBis(4-fluorophenyl) carbinol

데이터베이스 식별자

CAS: 365-24-2
PubChem CID: 123049
DTXSID: DTXSID90189999
EC Number: 206-671-8
Nikkaji: J193.872J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 43 · 43-45 °C(lit.)
끓는 점: 143 °C3 · 143 °C3 mm Hg(lit.)
밀도: 1.2031 · 1.2031 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 13.41 · 13.41±0.20(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 2332258 · 2332258
InChI: InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey: WCTZPQWLFWZYJE-UHFFFAOYSA-N
SMILES: C(O)(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1
NIST: 4 · 4,4'-Difluorobenzhydrol(365-24-2)

화학적 성질

white to yellowish crystalline flakes or powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (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.

유해성 정보

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesEye Irrit. 2 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29062900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명Bis(4-fluorophenyl)methanol is one of the degardation product of flunarizine hydrochloride (FLZ).

상·하류 제품 정보

상류 원료

하류 제품

Benzene, 1,1'-[(2-chloroethoxy)methylene]bis[4-fluoro-

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