기본 정보
- CAS
1143-72-2- 표준 SMILES
O=C(c1ccccc1)c1ccc(O)c(O)c1O- InChIKey
HTQNYBBTZSBWKL-UHFFFAOYSA-N- 분자식
- C13H10O4
- 평균 분자량
- 230.22 g/mol
- 단동위원소 질량
- 230.0579088
개요
2,3,4-trihydroxbenzophenone is a benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator. It has a role as a quorum sensing inhibitor, a drug metabolite, an EC 1.14.18.1 (tyrosinase) inhibitor, a human urinary metabolite and a rat metabolite. It is a benzenetriol and a hydroxybenzophenone.
이름 및 식별자
- 우선 이름
- Alizarin Yellow A
- IUPAC
- phenyl-(2,3,4-trihydroxyphenyl)methanone
- 현지명
- 2,3,4-트리하이드록시벤조페논
- 영어명
- 2,3,4-Trihydroxybenzophenone
- 분자식
- C13H10O4
- 분자량
- 230.22
이름 및 동의어
2,3,4-Trihydroxybenzophenone1143-72-2Phenyl(2,3,4-trihydroxyphenyl)methanoneAlizarin yellow AGallobenzophenoneMethanone, phenyl(2,3,4-trihydroxyphenyl)-Alizarine Yellow A2,3,4-TrihydroxbenzophenoneDTXSID6037728Benzophenone, 2,3,4-trihydroxy-C.I. 57005EINECS 214-540-1
이름 더 보기
2,3,4-트라이하이드록시벤조펜온2,3,4-트리하이드록시벤조페논2,3,4-트리히드록시벤조페논3HBP2,3,4-THBPC.I.570054-BENZOYL PYROGALLOL2,3,4-Trihydroxybenzophenon2 2,3,4-Trihydroxybenzophenone
NSC 306658FBX2Q800VNSC-30665CI 57005DTXCID4017728CHEBI:176813TRIHYDROXYBENZOPHENONE, 2,3,4-RefChem:553990
데이터베이스 식별자
- CAS
1143-72-2- PubChem CID
- 70837
- DTXSID
DTXSID6037728
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 273
실험 및 물리화학적 성질
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section151.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6037728]
물리화학적 성질
- 녹는점
- 139 · 139-141 °C (lit.)
- 끓는 점
- 439.7 · 439.7±45.0 °C(Predicted)
- 밀도
- 1.413 · 1.413±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 2 %, · 에탄올: 가용성 2%, 투명, 노란색에서 매우 어두운 노란색-주황색
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.51 · 7.51±0.40(Predicted)
- 색상
- Light yellow to Yellow to Orange
- 수소이온지수(pH)
- 6 · 6-7 (H2O)
- 수용성
- 13.22 g/L · 13.22g/L(24.99ºC)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Methanone, phenyl(2,3,4-trihydroxyphenyl)-
Status: Cease Manufacture Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21599
Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 29145090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-34291
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanone, phenyl(2,3,4-trihydroxyphenyl)-: ACTIVE
응용 분야
용도2,3,4-Trihydroxybenzophenone is used in manufacturing method of electrophotographic photosensitive member containing styrene acrylic resin particle and melamine formaldehyde resin particle.
일반 설명2,3,4-Trihydroxybenzophenone is a hydroxylated benzophenone UV filter and has been quantitated in sea water samples by dispersive liquid-liquid microextraction followed by GC-MS. Estrogenic activity of 2,3,4-trihydroxybenzophenone has been tested by yeast-two hybrid assay.
제조 방법
Preparation by reaction of benzoic acid with pyrogallol, in the presence of zinc chloride during 3 h at 145°;in the presence of Amberlyst-15 (a strongly acid ion exchanger) in chlorobenzene during 10 h at 131–132° (60%);in the presence of Amberlite IR-120 or Zeokarb 225 (cation exchange resins, sulfonic acid type) during 3 h at 160° (14%);in the presence of boron trifluoride in ethyl ether at 0° (44%).
상·하류 제품 정보
하류 제품
공급사100 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]
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