alpha-Methoxy-alpha-trifluoromethylphenylacetic acid, (-)-

HCID 6992788
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기본 정보

CAS
17257-71-5
표준 SMILES
CO[C@](C(=O)O)(c1ccccc1)C(F)(F)F
InChIKey
JJYKJUXBWFATTE-VIFPVBQESA-N
분자식
C10H9F3O3
평균 분자량
234.17 g/mol
단동위원소 질량
234.05037881

이름 및 식별자

우선 이름
alpha-Methoxy-alpha-trifluoromethylphenylacetic acid, (-)-
IUPAC
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
영어명
(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid
분자식
C10H9F3O3
분자량
234.17

이름 및 동의어

17257-71-5(-)-Mosher's Acid(-)-MtpaEINECS 241-292-1172HCJ1IQV(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid(S)-(-)-MOSHER ACID(-)-(S)-MTPADTXSID80897011alpha-Methoxy-alpha-trifluoromethylphenylacetic acid, (-)-Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, (.alpha.S)-MOSHER'S REAGENT (S)-(-)-FORM [MI]
이름 더 보기
(S)-3,3,3-Trifluoro-2-Methoxy-2-phenylpropanoic acid(S)-(-)-MPTAMOSHERS ACID(S)-(-)-Mosheracid(S)-(-)-MOSHER'S ACID(S)-(-)-Mosher's acid(-)-MTPA, Moshers acid(-)-Moshers acid~(-)-MTPA
(-)-.ALPHA.-METHOXY-.ALPHA.-(TRIFLUOROMETHYL)PHENYLACETIC ACID(S)-(-)-3,3,3-TRIFLUORO-2-PHENYL-2-METHOXYPROPANOIC ACID.ALPHA.-METHOXY-.ALPHA.-TRIFLUOROMETHYLPHENYLACETIC ACID, (-)-(S)-(-)-.BETA.,.BETA.,.BETA.-TRIFLUORO-.ALPHA.-METHOXYHYDRATROPIC ACIDRefChem:555810(S)-Methoxy(trifluoromethyl)phenylacetic acidDTXCID701326448MOSHER'S REAGENT (S)-(-)-FORM

데이터베이스 식별자

CAS
17257-71-5
PubChem CID
6992788
DTXSID
DTXSID80897011
UNII
172HCJ1IQV
EC Number
241-292-1
Nikkaji
J66.198H

물성

구조 계산 물성

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

물리화학적 성질

녹는점
46 · 46-49 °C(lit.)
끓는 점
95 · 95-97 °C0.05 mm Hg(lit.)
밀도
1.303 g/mL · 1.303 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.474(lit.)
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C

화학적 성질

clear colorless viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, (.alpha.S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
HS 번호
29189900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39
위험 등급
IRRITANT, HYGROSCOPIC, KEEP COLD

화학 및 산업

응용 분야 · 2건

용도(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid is used as a chiral derivatizing agent, it reacts with an alcohol or amine of unknown stereochemistry to form an ester or amide. The absolute configuration of the ester or amide is then determined by proton and/or 19F NMR spectroscopy.

일반 설명(S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid is commonly used as a derivatizing agent in Mosher ester analysis and Mosher amide analysis, which are NMR-based methods for determining the absolute configuration of the chiral carbon center in secondary alcohols and amines, respectively.

공급사86 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

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