기본 정보
- CAS
3516-95-8- 표준 SMILES
O=C(CCc1ccccc1)c1ccccc1O- InChIKey
JCPGMXJLFWGRMZ-UHFFFAOYSA-N- 분자식
- C15H14O2
- 평균 분자량
- 226.27 g/mol
- 단동위원소 질량
- 226.09937969
개요
2'-hydroxy-3-phenylpropiophenone has been reported in Flindersia brassii and Peperomia obtusifolia with data available.
이름 및 식별자
- 우선 이름
- 2'-Hydroxy-3-phenylpropiophenone
- IUPAC
- 1-(2-hydroxyphenyl)-3-phenylpropan-1-one
- 영어명
- 2'-Hydroxy-3-phenylpropiophenone
- 분자식
- C15H14O2
- 분자량
- 226.27
이름 및 동의어
2'-Hydroxy-3-phenylpropiophenone1-(2-Hydroxyphenyl)-3-phenylpropan-1-one1-Propanone, 1-(2-hydroxyphenyl)-3-phenyl-o-Hydroxy-beta-phenyl propiophenoneUNII-0VE7O0Z9NZEINECS 222-521-40VE7O0Z9NZ2'-hydroxydihydrochalconeo-Hydroxy-.beta.-phenyl propiophenoneDTXSID30746581-Propanone, 1-(2-hydroxyphenyl)-2-phenyl-JCPGMXJLFWGRMZ-UHFFFAOYSA-
이름 더 보기
Propafenone Impurity APropafenone IMp. A (EP)Propafenone EP Impurity AHydroxy-3-phenylpropiophenPropafenone EP/BP Impurity Aβ-Phenyl-2-hydroxypropiophenone2-Hydroxy-3-Phenyl propiohenone2-HYDROXYLPHENYL PHENYL PROPONE2-Hydroxyphenyl-3-Propiophenone
.BETA.-PHENYL-2-HYDROXYPROPIOPHENONEPROPAFENONE HYDROCHLORIDE IMPURITY A [EP IMPURITY]PROPAFENONE HYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:80352DTXCID7038949BETA-PHENYL-2-HYDROXYPROPIOPHENONEInChI=1/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2JCPGMXJLFWGRMZ-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
3516-95-8- PubChem CID
- 77052
- DTXSID
DTXSID3074658- ChEMBL
CHEMBL490143- UNII
- 0VE7O0Z9NZ
- EC Number
- 222-521-4、927-225-5
- Nikkaji
- J31.125A
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 243
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Propafenone
물리화학적 성질
- 녹는점
- 36 · 36-37 °C(lit.)
- 끓는 점
- 158 °C/2mmHg · 158°C/2mmHg(lit.)
- 밀도
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- 굴절률
- 20 · n20/D 1.5968(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 디클로로메탄(약간 용해됨), 아세트산에틸(약간 용해됨)
- 산도 계수 (pKa)
- 8.07 · 8.07±0.30(Predicted)
- 물리적 상태
- 고체
- 색상
- 회백색
- InChI
- InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
- InChIKey
- JCPGMXJLFWGRMZ-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1O)(=O)CCC1=CC=CC=C1
- EPA
- 1 · 1-Propanone, 1-(2-hydroxyphenyl)-3-phenyl- (3516-95-8)
화학적 성질
Slightly Yellow Crystals
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4% (8 of 199) of reports.
Warning
H302 (21.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 199 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one (EC: 222-521-4)
Hazard Classes and CategoriesAcute Tox. 4 (21.6%)
안전 데이터
- wgk
- 3
- HS 번호
- 2914390090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
일반 설명2′-Hydroxy-3-phenylpropiophenone is a colorless to yellow liquid or solid. 2′-Hydroxy-3-phenylpropiophenone derivatives show antiarrhythmic,spasmolytic and local anaesthetic activities.
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