トリフルオロメタンスルホン酸2-ナフチル

2-Naphthyl Trifluoromethanesulfonate

HCID 4546341CAS 3857-83-8

部分構造検索類似構造を探す

基本情報

標準SMILES: O=S(=O)(Oc1ccc2ccccc2c1)C(F)(F)F
InChIKey: MDWRQYBWVTXIIJ-UHFFFAOYSA-N
分子式: C11H7F3O3S
平均分子量: 276.23 g/mol
単同位体質量: 276.00679974

名称と識別子

優先名称: 2-Naphthyl Trifluoromethanesulfonate
IUPAC: naphthalen-2-yl trifluoromethanesulfonate
現地名: トリフルオロメタンスルホン酸2-ナフチル
英語名: 2-Naphthyl triflate
分子式: C11H7F3O3S
分子量: 276.23

名称と別名

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

名称をさらに表示

トリフルオロメタンスルホン酸2-ナフタレニルトリフルオロメタンスルホン酸2-ナフチル2-ナフトールトリフルオロメタンスルホナートトリフルオロメタンスルホン酸ナフタレン-2-イル2-(トリフルオロメチルスルホニルオキシ)ナフタレン2-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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.2
極性表面積: 51.8 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 385

物理化学的性質

融点: 30 · 30-32 °C(lit.)
沸点: 87 °C/0.2mmHg · 87°C/0.2mmHg(lit.)
比重(密度): 1.493 · 1.493±0.06 g/cm3(Predicted)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 個体
色: 白からオレンジ
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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (97.5%)

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
hazard_code: C
safety_code: 22-26-27-36/37/39-45
hazard_class: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用2-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.

一般的な説明2-Naphthyl trifluoromethanesulfonate (2-naphthyl triflate) is an aryl triflate. Its ruthenium-catalyzed conversion to 2-bromonaphthalene has been reported.