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기본 정보
- CAS
109089-77-2- 표준 SMILES
COc1ccc(C)cc1C(CC(=O)O)c1ccccc1- InChIKey
KSLPLDLDQANKOD-UHFFFAOYSA-N- 분자식
- C17H18O3
- 평균 분자량
- 270.32 g/mol
- 단동위원소 질량
- 270.12559443
이름 및 식별자
- 우선 이름
- 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
- IUPAC
- 3-(2-methoxy-5-methylphenyl)-3-phenylpropanoic acid
- 현지명
- 3-(2-메톡시-5-메틸페닐)-3-페닐프로판산
- 영어명
- 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
- 분자식
- C17H18O3
- 분자량
- 270.32
이름 및 동의어
109089-77-23-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acidDTXSID40392759RefChem:491117DTXCID40343620600-896-93-(2-Methoxy-5-methylphenyl)-3-phenyl-propanoic Acid3-(2-methoxy-5-methylphenyl)-3-phenylpropionic acidMFCD010980263-(2-METHOXY-5-METHYL-PHENYL)-3-PHENYL-PROPIONIC ACID3-(2-METHOXY-5-METHYLPHENYL)-3-PHENYL PROPIONIC ACIDKSLPLDLDQANKOD-UHFFFAOYSA-N
이름 더 보기
3-(2-메톡시-5-메틸페닐)-3-페닐프로판산Tolterodine impurity Z253-(2-Methoxy-5-methylphenyl)2-Methoxy-5-Methyl-β-phenyl-hydrocinnaMic Acid2-Methoxy-5-Methyl-beta-Phenylbenzene Propanoic Acid3-(2-Methoxyl-5-methylphenyl)-3-phenylpropionic acid3-(2-Methoxy-5-methylphenyl)-3-phenylpropionicAcid>3-(2-METHOXY-5-METHYL-PHENYL)-3-PHENYL-PROPIONIC ACID3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid ,≥99%3-(2-Methoxyl-5-Methylphenyl)-3-PhenylpropionicAcid(ForTolterodine-L-Tartrate)
3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propanoic AcidTolterodine Impurity 32SCHEMBL6170393-(2-Methoxy-5-methylphenyl)-3-phenylpropanoicacidSCHEMBL30232579AKOS015899915AC-3467AS-35369
데이터베이스 식별자
- CAS
109089-77-2- PubChem CID
- 3468322
- DTXSID
DTXSID40392759- EC Number
- 600-896-9
물성
구조 계산 물성보충 중
- XLogP
- 3.5
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 309
물리화학적 성질
- 녹는점
- 130 · 130-132°C
- 끓는 점
- 376.9 ℃ · 376.9℃ at 101kPa
- 밀도
- 1.228 at · 1.228 at 20℃
- 증기압
- 0 · 0-0Pa at 20-25℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMF, DMSO, 메탄올 에 용해됨
- 물리적 상태
- 고체
- 색상
- 백색 결정체
- LogP
- 2.44 at · 2.44 at 20℃ and pH7.15-9.65
화학적 성질
White Crystalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationStatus: Active Update: 21-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29450
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (50%)
규제 정보
Regulatory InformationStatus: Active Update: 21-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29450
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
응용 분야
용도3-(2-Methoxy-5-methylphenyl)-3-phenyl-propanoic Acid (cas# 109089-77-2) is a compound useful in organic synthesis.
공급사59 곳
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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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T&W GROUP021-61551611 13296011611 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
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