기본 정보
- CAS
85-57-4- 표준 SMILES
O=C(O)c1ccccc1C(=O)c1ccc(O)cc1- InChIKey
YGTUPRIZNBMOFV-UHFFFAOYSA-N- 분자식
- C14H10O4
- 평균 분자량
- 242.23 g/mol
- 단동위원소 질량
- 242.0579088
개요
Hibenzate is a small molecule drug. Hibenzate has a monoisotopic molecular weight of 242.06 Da.
이름 및 식별자
- 우선 이름
- 2-(4-Hydroxybenzoyl)benzoic acid
- IUPAC
- 2-(4-hydroxybenzoyl)benzoic acid
- 현지명
- 2-(4-하이드록시벤조일)벤조산
- 영어명
- 2-(4-Hydroxybenzoyl)benzoic acid
- 분자식
- C14H10O4
- 분자량
- 242.23
이름 및 동의어
2-(4-Hydroxybenzoyl)benzoic acid85-57-4Phthalein acido-(p-Hydroxybenzoyl)benzoic acidBenzoic acid, 2-(4-hydroxybenzoyl)-HibenzateBENZOIC ACID, o-(p-HYDROXYBENZOYL)-NSC-57609NSC-122980U7255OO1G6DTXSID0075360RefChem:1061255
이름 더 보기
2-(4-하이드록시벤조일)벤조산AKOS B028764phthaleinacidImpurity KHBBo-(p-hydroxybenzoyl)benzoicacido-(p-hydroxybenzoyl)-benzoicaci2-(4-hydroxybenzoyl)-benzoicaci2-(4-hydroxybenzoyI)benzoic acid
DTXCID2048454201-616-4Hybenzoate2-[(4-hydroxyphenyl)carbonyl]benzoic acidBenzoic acid, p-(p-hydroxybenzoyl)-MFCD00016507CHEMBL845252-(4-Hydroxy-benzoyl)-benzoic acid
데이터베이스 식별자
- CAS
85-57-4- PubChem CID
- 6814
- DTXSID
DTXSID0075360- ChEMBL
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 318
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 213 °C · 213 °C
- 끓는 점
- 512.6 · 512.6±35.0 °C(Predicted)
- 밀도
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.35 · 3.35±0.36(Predicted)
- InChI
- InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)
- InChIKey
- YGTUPRIZNBMOFV-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(O)C=C1
- EPA
- 2 · 2-(4-Hydroxybenzoyl)benzoic acid (85-57-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2916399090
- risk_code
- 36
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요2-(4-Hydroxybenzoyl)benzoic acid is a white crystalline powder. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. The compound has a melting point range of approximately 245-250 ℃. The synthesis of 2-(4-Hydroxybenzoyl)benzoic acid involves the reaction of 4-hydroxybenzoic acid (also known as p-hydroxybenzoic acid) with benzoyl chloride or benzoyl anhydride. The reaction occurs through an acylation process where the benzoyl group is added to the benzene ring of the 4-hydroxybenzoic acid. This compound has potential applications in various fields, including pharmaceuticals and materials science. It can serve as a building block for synthesising other organic compounds or as a starting material for preparing pharmaceutical intermediates. Additionally, it may exhibit certain properties that make it useful in developing materials or coatings.
상·하류 제품 정보
하류 제품
공급사93 곳
苏州道澜生物医药科技有限公司15952404857 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
河北枫嘉新材料科技有限公司
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