CAS 2926-30-9 Sodium trifluoromethanesulfonate (HCID 23676748)

이름 및 식별자

우선 이름: Sodium trifluoromethanesulfonate
IUPAC: sodium trifluoromethanesulfonate
현지명: 트리플루오로메탄술폰산 나트륨
영어명: NaOTf
분자식: CF3NaO3S
분자량: 172.06

이름 및 동의어

Sodium trifluoromethanesulfonate2926-30-9DTXSID20635510RefChem:380779DTXCID30586261629-418-7Sodium triflatesodium;trifluoromethanesulfonateMFCD00061607trifluoromethanesulfonic acid sodiumMethanesulfonic acid, 1,1,1-trifluoro-, sodium salt (1:1)Methanesulfonic acid, trifluoro-, sodium salt

이름 더 보기

트리플루오로메탄술폰산나트륨NaOTfSodium trifluomethanesulfonateSodium trifluorideSodium trifluoromethaSodium TrifluoromethanesulfoteSODIUM TRIFLUOROMETHANESULPHONATESodiumtrifluoromethanesulphonate98%Sodium trifluoromethanesulfonate,98%

Trifluoromethanesulfonic acid sodium saltTrifluoromethanesulfonic acid (sodium)AKOS005063791CS-W017632CF3NaO3SSodiumtrifluoromethanesulfonateSodium trifluoromethanesulfonate, 98%CF3SO3Na

데이터베이스 식별자

CAS: 2926-30-9
PubChem CID: 23676748
DTXSID: DTXSID20635510
ChEMBL: CHEMBL3326865
EC Number: 629-418-7
Nikkaji: J661.259H

물성

구조 계산 물성

극성 표면적: 65.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 253 · 253-255 °C (lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
색상: 흰색에서 황백색까지
수용성: 녹는
BRN: 3728797 · 3728797
InChI: InChI=1S/CHF3O3S.Na/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
InChIKey: KKVTYAVXTDIPAP-UHFFFAOYSA-M
SMILES: C(F)(F)(F)S([O-])(=O)=O.[Na+]

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)；Eye Irrit. 2 (98.1%)；STOT SE 3 (96.2%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29049090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,C,Xn
safety_code: 26-37/39
F 고인화성물질: 3-10
위험 참고 사항: Corrosive
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요Sodium trifluoromethanesulfonate (NaOTf) is commonly known as trifluoromethanesulfonic acid or TFMS. Possessing unique properties, TFMS is water-soluble, anionic, and boasts a range of valuable attributes. As a colorless, odorless, and non-toxic substance, TFMS finds widespread use as a reagent in organic synthesis, a catalyst in industrial applications, and a buffer in various biochemical experiments. In scientific research, TFMS stands out due to its robust acidity, enabling it to act as a potent catalyst in organic synthesis. Additionally, it effectively serves as a reliable buffer at pH levels, ensuring precise pH maintenance in biochemical experiments. As an anionic compound, TFMS functions as a strong acid in solution, facilitating the donation of protons to other molecules, thus reducing the pH.

용도NaOTf is used in the preparation of N-fluoro-2-methylpyridinium triflate by reaction with dinitrogen difluoride as a reagent. It is also used as a chaotropic mobile phase additive in reversed-phase liquid chromatography (RP-LC).

일반 설명Sodium trifluoromethanesulfonate (Sodium triflate or NaOTf) is an efficient catalyst as well as a reagent in many organic reactions. The prominent application includes catalytic asymmetric Mannich-type reactions, Mannich-type reactions in water, and Diels-Alder reactions.