기본 정보
- CAS
96-84-4- 표준 SMILES
CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O- InChIKey
GOIQOQCNFWYSTQ-UHFFFAOYSA-N- 분자식
- C11H11I3O3
- 평균 분자량
- 571.92 g/mol
- 단동위원소 질량
- 571.7842
개요
Iophenoic acid is a member of benzenes and a monocarboxylic acid.
이름 및 식별자
- 우선 이름
- Iophenoxic Acid
- IUPAC
- 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid
- 현지명
- 알파-에틸-3-히드록시-2,4,6-트리요오드히드로신남산
- 영어명
- alpha-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid
- 분자식
- C11H11I3O3
- 분자량
- 571.92
이름 및 동의어
Iophenoxic acid96-84-4IOPHENOIC ACIDTeridaxAcido iofenoicoAcide iophenoiqueAcidum iophenoicumalpha-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acidDTXSID104626573TJC7JGUYalpha-Ethyl-3-hydroxy-2,4,6-triiodobenzenepropanoic acidDTXCID9026265
이름 더 보기
알파-에틸-3-히드록시-2,4,6-트리요오드히드로신남산JodoprolIophenoicTiloshadeTrilombrineIophenoicAcidtriiodoethionicacidalpha-ethyl-beta-(3-hydroxAcide iophenoique [INN-French]
RefChem:7912042-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid2-(3-hydroxy-2,4,6-triiodobenzyl)butanoic acidIophenoic acid [INN]NCGC00160625-01IOPHENOXIC ACID [MI]SCHEMBL966564CHEMBL1551165
데이터베이스 식별자
- CAS
96-84-4- PubChem CID
- 7315
- DTXSID
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 275
물리화학적 성질
- 녹는점
- 146 · 146-148 °C (lit.)
- 끓는 점
- 459 · 459.0±45.0 °C(Predicted)
- 밀도
- 2.289 · 2.2890 (estimate)
- 산도 계수 (pKa)
- 7.5 · pKa 7.5(H2O,(extrap)) (Uncertain)
- 물리적 상태
- solid
- Merck
- 13 · 13,5077
- InChI
- 1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17)
- InChIKey
- GOIQOQCNFWYSTQ-UHFFFAOYSA-N
- SMILES
- CCC(Cc1c(I)cc(I)c(O)c1I)C(O)=O
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- MW5280000
- 독성
- LD50 i.v. in mice: 374 mg/kg (Hoppe)
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-37/39
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid (iophenoxic acid ) was used as marker in “bait acceptance” studies conducted on various animal species. It was used in the direct quantitation of iophenoxic acid in porcine serum samples by a liquid chromatographic-electrospray ionization mass spectrometric technique.
일반 설명α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid (Iophenoxic acid ) is an organic, iodine-containing compound. Iophenoxic acid is an iodinated radiocontrast agent, its clinical use has been withdrawn due to its exceptionally long half-life in the body, since it has high-affinity binding to human serum albumin (HSA). Structural basis of its interaction with HSA has been evaluated.
상·하류 제품 정보
상류 원료
공급사17 곳
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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