2-나프틸트리플레이트

2-Naphthyl Trifluoromethanesulfonate

HCID 4546341CAS 3857-83-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Oc1ccc2ccccc2c1)C(F)(F)F
InChIKey: MDWRQYBWVTXIIJ-UHFFFAOYSA-N
분자식: C11H7F3O3S
평균 분자량: 276.23 g/mol
단동위원소 질량: 276.00679974

이름 및 식별자

우선 이름: 2-Naphthyl Trifluoromethanesulfonate
IUPAC: naphthalen-2-yl trifluoromethanesulfonate
현지명: 2-나프틸트리플레이트
영어명: 2-Naphthyl triflate
분자식: C11H7F3O3S
분자량: 276.23

이름 및 동의어

2-Naphthyl trifluoromethanesulfonate3857-83-8DTXSID10404111RefChem:264238DTXCID10354965624-190-5naphthalen-2-yl trifluoromethanesulfonate2-Naphthyl triflateMFCD001923412-Naphthyltriflate2-naphthyltrifluoromethanesulfonateSCHEMBL1713420

이름 더 보기

2-나프틸트리플레이트2-Naphthol trifluoromethanesulfonate2-NaphthylTrifluoromethanesulfonate>2-(Trifluoromethylsulfonyloxy)naphthalene2-naphthyltrifluoromethylsulfonylacidesterTrifluoromethanesulfonic acid 2-naphtyl esterTrifluoromethanesulfonic acid 2-naphthalenyl esterTrifluoromethanesulfonic acid naphthalene-2-yl ester

BS-229412-Naphthyl trifluoromethanesulfonate, 97%T724092- naphthyl triflate2-naphthyltrifluoromethTrifluoromethanesulfonic Acid 2-Naphthyl EsterA873815SCHEMBL29839512

데이터베이스 식별자

CAS: 3857-83-8
PubChem CID: 4546341
DTXSID: DTXSID10404111
EC Number: 624-190-5
Nikkaji: J376.927E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 385

물리화학적 성질

녹는점: 30 · 30-32 °C(lit.)
끓는 점: 87 °C/0.2mmHg · 87°C/0.2mmHg(lit.)
밀도: 1.493 · 1.493±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 흰색에서 주황색으로
InChI: InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey: MDWRQYBWVTXIIJ-UHFFFAOYSA-N
SMILES: C(F)(F)(F)S(OC1=CC=C2C(=C1)C=CC=C2)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, 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 CategoriesSkin Corr. 1B (97.5%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 22-26-27-36/37/39-45
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-Naphthyl trifluoromethanesulfonate (2-naphthyl triflate) may be used as an arylating agent in the arylation of 1-(methoxycarbonyl)-2,5-dihydropyrrole by Heck reaction. It may be used as a substrate for coupling with Reformatsky reagent BrZnCH(CH3)(COOtC4H9) in the presence of “reduced” dichlorobis(1,1-diphenylphosphino)ferrocene catalyst.

일반 설명2-Naphthyl trifluoromethanesulfonate (2-naphthyl triflate) is an aryl triflate. Its ruthenium-catalyzed conversion to 2-bromonaphthalene has been reported.