4,4′-디메톡시벤조페논

4,4'-Dimethoxybenzophenone

HCID 7032

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 90-96-0
표준 SMILES: COc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N
분자식: C15H14O3
평균 분자량: 242.27 g/mol
단동위원소 질량: 242.09429431

개요

structure in first source

이름 및 식별자

우선 이름: 4,4'-Dimethoxybenzophenone
IUPAC: bis(4-methoxyphenyl)methanone
현지명: 4,4′-디메톡시벤조페논
영어명: 4,4'-Dimethoxybenzophenone
분자식: C15H14O3
분자량: 242.27

이름 및 동의어

4,4'-Dimethoxybenzophenone90-96-0XM6ZQ9ZM6ENSC-4191DTXSID50237985RefChem:96264DTXCID00160476202-028-0Bis(4-methoxyphenyl)methanoneMFCD00008404Methanone, bis(4-methoxyphenyl)-P,P'-DIMETHOXYBENZOPHENONE

이름 더 보기

4,4′-디메톡시벤조페논4,4'-디메톡시벤조페논4,4-DimethoxybenzopLABOTEST-BB LT00160175Di(4-methoxyphenyl) ketone

4,4 inverted exclamation mark -DimethoxybenzophenoneDmbpDi-p-anisyl ketoneBenzophenone, 4,4'-dimethoxy-Bis(p-methoxy)benzophenonedi4-methoxyphenyl ketoneBis(p-anisyl) ketoneBis(4-anisyl) ketone

데이터베이스 식별자

CAS: 90-96-0
PubChem CID: 7032
DTXSID: DTXSID50237985
ChEMBL: CHEMBL2413410
UNII: XM6ZQ9ZM6E
EC Number: 202-028-0
Nikkaji: J42.325D

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 235

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 141 · 141-143 °C (lit.)
끓는 점: 200 °C17 · 200 °C17 mm Hg(lit.)
밀도: 1.1515 · 1.1515 (rough estimate)
굴절률: 1.557 · 1.5570 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 가루
색상: 약간 베이지색~노란색
수용성: 물에 불용성이며 에탄올에 용해됩니다.
BRN: 1878026 · 1878026
InChI: InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)=O
NIST: P,p'-dimethoxybenzophenone(90-96-0)

화학적 성질

white to light yellow crystal 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Methanone, bis(4-methoxyphenyl)-

4,4'-Dimethoxybenzophenone: 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
HS 번호: 29145000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-11041
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4,4'-Dimethoxybenzophenone is used in the organic synthesis. It also acts as a pharmaceutical intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

일반 설명Photoreactivity of 4,4′-dimethoxybenzophenone with 2-aminobenzimidazole has been examined. It is an ultraviolet absorbing additive in plastic products.

제조 방법

btained by photocatalytic oxidation of 4,4–′-dimethoxybenzhydrol (m.p. 69–71°) catalyzed by H3PW12O40/SiO2 in acetonitrile under oxygen atmosphere at r.t. for 1 h (90%).