기본 정보
- CAS
1470-79-7- 표준 SMILES
O=C(c1ccc(O)cc1)c1ccc(O)cc1O- InChIKey
OKJFKPFBSPZTAH-UHFFFAOYSA-N- 분자식
- C13H10O4
- 평균 분자량
- 230.22 g/mol
- 단동위원소 질량
- 230.0579088
이름 및 식별자
- 우선 이름
- 2,4,4'-Trihydroxybenzophenone
- IUPAC
- (2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
- 현지명
- 2,4,4'-트라이하이드록시벤조펜온
- 영어명
- 2,4,4'-Trihydroxybenzophenone
- 분자식
- C13H10O4
- 분자량
- 230.22
이름 및 동의어
2,4,4'-Trihydroxybenzophenone1470-79-7METHANONE, (2,4-DIHYDROXYPHENYL)(4-HYDROXYPHENYL)-Benzophenone, 2,4,4'-trihydroxy-DTXSID80448362,4-Dihydroxyphenyl p-hydroxybenzyl ketoneEINECS 216-004-2UNII-QP9121IG2SQP9121IG2SNSC-76052DTXCID6024836NSC 76052
이름 더 보기
2,4,4′-트리하이드록시벤조페논2,4,4'-트라이하이드록시벤조펜온2,4,4'LABOTEST-BB LT00159581TRIHYDROXYBENZOPHENONE2,4,4'-Trihydroxybenzophenone >2,4,4'-Trihydroxybenzophenone,95%2,4,4-TRIHYDROXYBENZOPHENONE 98+%2,4,4'-Trihydroxybenzophenone 95%2,4,4'-trihydroxydibenzenemethylone
RefChem:81973216-004-2OKJFKPFBSPZTAH-UHFFFAOYSA-N(2,4-Dihydroxyphenyl)(4-hydroxyphenyl)methanone2,4,4-Trihydroxybenzophenone(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone4-(4-hydroxybenzoyl)benzene-1,3-diolMFCD00002356
데이터베이스 식별자
- CAS
1470-79-7- PubChem CID
- 73852
- DTXSID
DTXSID8044836- ChEMBL
CHEMBL1905072- UNII
- QP9121IG2S
- EC Number
- 216-004-2
- Nikkaji
- J104.788D
물성
구조 계산 물성
- XLogP
- 2.6
- 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
- 271
실험 및 물리화학적 성질
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section152.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8044836]
물리화학적 성질
- 녹는점
- 197 · 197-198 °C(lit.)
- 끓는 점
- 332.2 °C · 332.2°C (rough estimate)
- 밀도
- 1.2683 · 1.2683 (rough estimate)
- 굴절률
- 1.4977 · 1.4977 (estimate)
- 저장 조건
- RT, stored under nitrogen
- 수용성
- 물에 약간 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.59 · 7.59±0.35(Predicted)
- 색상
- White to Light yellow to Light orange
- InChI
- 1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
- InChIKey
- OKJFKPFBSPZTAH-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2914.50.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2,4,4''-Trihydroxybenzophenone is a small molecule inhibitor of viral replication.
제조 방법
Preparation by reaction of 4-hydroxybenzoic acid with resorcinol, in the presence of zinc chloride at 160° (Nencki reaction); in the presence of zinc chloride and phosphorous oxychloride for 4 days at r.t. (78%);in the presence of zinc chloride and a mixture of polyphosphoric acid/85% phosphoric acid (60:40) at 27°. Then, during 2 h, phosphorous trichloride was added between 27° and 37° and the mixture heated at 60° for 16 h (quantitative yield); in the presence of hydrofluoric acid at 75° in an autoclave.
공급사63 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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