(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride (HCID 3080792)

개요

acylating agent used to determine enantiomeric purity of amines & alcohols; RN given refers to (-)-isomer; structure

이름 및 식별자

우선 이름: (-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride
IUPAC: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
영어명: (S)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetyl chloride
분자식: C10H8ClF3O2
분자량: 252.62

이름 및 동의어

39637-99-5(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride81UT10UHV3RefChem:390937(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride(r)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride(R)-(-)-MTPA-ClMFCD00044400(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride(R)-(-)-a-Methoxy-a-trifluoromethylphenylacetyl chloride(-)-Mosher's Acid Chloride(-)-MTPA-Cl

이름 더 보기

MOSHER'S ACID CHLORIDE(R)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride(+)-MTPA-CL(R)-(−(S)-(+)-MTPA-CL(R)-(-)-Acid chloride(+)-MOSHER'S CHLORIDE(+)-MOSHER'S ACID CHLORIDE

(2R)-(-)-2-Methoxy-2-phenyl-3,3,3-trifluoropropanoyl chloride(-)-|A-Methoxy-|A-(trifluoromethyl)phenylacetyl ChlorideUNII-81UT10UHV3(R)-(-)-alpha-Methoxy-alpha-trifluoromethylphenylacetyl chloride(R)-MTPA CHLORIDE(-)-MTPA CHLORIDE(R)-Mosher'S Acid ChlorideSCHEMBL527656

데이터베이스 식별자

CAS: 39637-99-5
PubChem CID: 3080792
UNII: 81UT10UHV3
EC Number: 621-758-4
Nikkaji: J1.032.962K

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 261

물리화학적 성질

끓는 점: 213 · 213-214 °C(lit.)
밀도: 1.35 g/mL · 1.35 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.469(lit.)
인화점: 194 °F · 194 °F
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 액체
색상: 무색투명~연황색
Specific Gravity: 1.353 · 1.353
수용성: 물과 거의 섞이지 않습니다.
Merck: 14 · 14,6280
BRN: 3591565 · 3591565
InChI: 1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKey: PAORVUMOXXAMPL-VIFPVBQESA-N
SMILES: CO[C@](C(Cl)=O)(c1ccccc1)C(F)(F)F

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29189900
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21
위험 참고 사항: Corrosive/Freeze
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도(R)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride is used as a chiral acylating reagent, which is used in the resolution of amino acid enantiomers like 2,5-dimethoxy-4-methylamphetamine. It is also suitable for the determination of the optical composition of compounds extracted from biological fluids.