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기본 정보
- CAS
56135-03-6- 표준 SMILES
COC(C(=O)O)(c1ccccc1)C(F)(F)F- InChIKey
JJYKJUXBWFATTE-UHFFFAOYSA-N- 분자식
- C10H9F3O3
- 평균 분자량
- 234.17 g/mol
- 단동위원소 질량
- 234.05037881
개요
structure in first source
이름 및 식별자
- 우선 이름
- Mosher's acid
- IUPAC
- 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
- 현지명
- (+/-)-알파-METHOXY-알파-트리플루오로메틸히드록시지방산
- 영어명
- (+/-)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYLACETIC ACID
- 분자식
- C10H9F3O3
- 분자량
- 234.17
이름 및 동의어
Mosher's acid56135-03-6alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acidRefChem:555809623-560-381655-41-63,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acidMTPA(+/-)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid(+/-)-Mosher's acid3,3,3-Trifluoro-2-Methoxy-2-Phenyl-Propionic AcidMFCD00066637
이름 더 보기
(+/-)-알파-METHOXY-알파-트리플루오로메틸히드록시지방산MOSHER ACIDAKOS 90370RARECHEM AL BO 0073TIMTEC-BB SBB0007232-METHOXY-2-PHENYL-3-TRIFLUOROPROPANOIC ACIDα-Methoxy-α-(trifluoromethyl)phenylacetic acid,MTPA(+/-)-1-METHOXY-1-(TRIFLUOROMETHYL)PHENYLACETIC ACID
Mosher's reagent [MI](+/-)-A-Methoxy-A-trifluoromethylphenylacetic acid2-methoxy-2-phenyl-3,3,3-trifluoropropionic acidE015GCC0MAALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYLACETIC ACID(+/-)-alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acidBenzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-UNII-E015GCC0MA
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 259
물리화학적 성질
- 녹는점
- 41 · 41-46 °C(lit.)
- 끓는 점
- 95 · 95-98 °C0.05 mm Hg(lit.)
- 굴절률
- 20 · n20/D 1.476(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- InChI
- 1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)
- InChIKey
- JJYKJUXBWFATTE-UHFFFAOYSA-N
- SMILES
- COC(C(O)=O)(c1ccccc1)C(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (97.7%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 3-10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Diastereomeric bis-esters of (±)-trans-7,8-dihydroxy-7,8,9,10-tetrahydrobenzo[α]pyrene with MTPA has been used as a noncarcinogenic precursor to obtain the (+)and (-)-dihydrodiols by chromatographic resolution. It has also been used to develop empirically derived correlation of configuration and nmr chemical shifts for diastereomeric MTPA esters.
공급사35 곳
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
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