Phenyl Trifluoromethanesulfonate

HCID 548641CAS 17763-67-6

기본 정보

표준 SMILES
O=S(=O)(Oc1ccccc1)C(F)(F)F
InChIKey
GRJHONXDTNBDTC-UHFFFAOYSA-N
분자식
C7H5F3O3S
평균 분자량
226.17 g/mol
단동위원소 질량
225.99114968

이름 및 식별자

우선 이름
Phenyl Trifluoromethanesulfonate
IUPAC
phenyl trifluoromethanesulfonate
영어명
Phenyl trifluoromethanesulfonate
분자식
C7H5F3O3S
분자량
226.17

이름 및 동의어

Phenyl trifluoromethanesulfonate17763-67-6DTXSID40338354RefChem:369723DTXCID00289439628-760-4Phenyl triflateMFCD00192399Methanesulfonic acid, 1,1,1-trifluoro-, phenyl esterMethanesulfonic acid, trifluoro-, phenyl esterphenyltrifluoromethanesulfonateSCHEMBL780030
이름 더 보기
Phenol triflatePhenol trifluoromethanesulfonateTrifluoromethylsulfonyloxybenzenePhenyl rifluoromehanesulfonae, 98%PhenylTrifluoromethanesulfonate>Phenyl trifluoromethanesulfonate 98%
Trifluoromethanesulfonic Acid Phenyl EsterPhenyl trifluoromethanesulfonate #AKOS025213101FS-4226trifluoro-methanesulfonic acid phenyl esterD92162SCHEMBL23829SCHEMBL499083

데이터베이스 식별자

CAS
17763-67-6
PubChem CID
548641
DTXSID
DTXSID40338354
EC Number
628-760-4
Nikkaji
J322.743J

물성

구조 계산 물성

XLogP
2.5
극성 표면적
51.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
14

물리화학적 성질

끓는 점
99 · 99-100 °C/60 mmHg (lit.)
밀도
1.396 g/mL · 1.396 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.435(lit.)
인화점
160 °F · 160 °F
저장 조건
Inert atmosphere,Room Temperature
물리적 상태
투명한 액체

화학적 성질

Colorless Liquid.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

안전 데이터

wgk
3
ridadr
UN 2927 6.1/PG 2
HS 번호
29049090
risk_code
36/37/38-34-24/25
hazard_code
T
safety_code
26-36-45-36/37/39

화학 및 산업

응용 분야 · 2건

용도Phenyl trifluoromethanesulfonate (phenyl triflate) may be used in the following studies:As an arylating agent for the asymmetric α-arylation of ketones catalyzed by Pd(dba)2 and difluorphos.As a reactant in the one pot synthesis of carbazoles by palladium-catalyzed N-arylation of anilines with phenyl triflate followed by oxidative coupling.Synthesis of N-(2,6-diarylbenzoyl)anilines by diarylation of benzanilides with phenyl triflate in the presence of palladium-based catalyst.As an arylating agent in the synthesis of (R)-2-phenyl-2,3-dihydrofuran by the arylation of 2,3-dihydrofuran.

일반 설명Phenyl trifluoromethanesulfonate (phenyl triflate) is an aryl fluorosulphonate. It has been synthesized by the reaction of phenol with fluorosulphonic anhydride.

제조 방법 · 1건

Synthesis of Phenyl trifluoromethanesulfonate: The reaction of phenol (1.00 g, 10.6 mmol) with triflic anhydride as outlined in the general procedure provided phenyl trifluoromethanesulfonate as colorless oil (0.73 g, 30%).1H NMR (400 MHz, CDCl3) δ 7.50 – 7.42 (m, 2H), 7.41 – 7.36 (m, 1H), 7.32 – 7.24 (m, 2H).

공급사50 곳

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]
郑州阿尔法化工有限公司+86-18530059196 · [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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201건

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