トリフルオロメタンスルホン酸カルシウム

Methanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1)

HCID 2734307

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部分構造検索類似構造を探す

基本情報

CAS: 55120-75-7
標準SMILES: O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ca+2]
InChIKey: PUQLFUHLKNBKQQ-UHFFFAOYSA-L
分子式: C2.Ca.F6.O6.S2
平均分子量: 338.2 g/mol
単同位体質量: 337.86664002

名称と識別子

優先名称: Methanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1)
IUPAC: calcium bis(trifluoromethanesulfonate)
現地名: トリフルオロメタンスルホン酸カルシウム
英語名: CALCIUM TRIFLUOROMETHANESULFONATE
分子式: C2CaF6O6S2
分子量: 338.22

名称と別名

Calcium trifluoromethanesulfonateCalcium triflateCalcium trifluoromethyl sulfonateMethanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1)RefChem:811499415-540-6628-642-255120-75-7Methanesulfonic acid, trifluoro-, calcium saltcalcium;trifluoromethanesulfonateMFCD00143911C2CaF6O6S2

名称をさらに表示

トリフルオロメタンスルホン酸カルシウムトリフルオロメタンスルホン酸カルシウム, min. 96% (Calcium triflaトリフル酸カルシウムCalcium(II) triflateCALCIUM TRIFLUOROMETHANSULPHOcalccalcium triflateium triflateCALCIUM TRIFLUOROMETHANSULPHONATECalciumtrifluoromethanesulfonateminCalciumtrifluoromethanesulphonate98%Calcium trifluoromethanesulfonate 98%

calcium ditrifluoromethanesulfonateCalcium trifluoromethanesulfonate, 99.9% trace metals gradecalcium trifluoromethanesulphonatecalciumtrifluoromethanesulfonatecalcium bis(trifluoromethanesulfonate)Calcium trifluoromethanesulfonate, 99.9%SCHEMBL505733DTXSID4069000

データベース識別子

CAS: 55120-75-7
PubChem CID: 2734307
DTXSID: DTXSID4069000
EC Number: 415-540-6、628-642-2
Nikkaji: J1.884.129K

物性

構造計算による物性

極性表面積: 131 Å²
水素結合供与体数: 0
水素結合受容体数: 12
回転可能結合数: 0
重原子数: 17
形式電荷: 0
複雑度: 145

物理化学的性質

融点: 350 °C · 350 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
外見: 粉
色: 白い
水溶解度: 水に溶ける。
安定性: 吸湿性
InChI: InChI=1S/2CHF3O3S.Ca/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
InChIKey: PUQLFUHLKNBKQQ-UHFFFAOYSA-L
SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S([O-])(=O)=O.[Ca+2]
CAS データベース: 55120 · 55120-75-7(CAS DataBase Reference)
EPAの化学物質情報: Methanesulfonic acid, trifluoro-, calcium salt (55120-75-7)

化学的性質

化学的特性greyish powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (63.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 3 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4362

Calcium trifluoromethanesulfonate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

Skin Corr. 1B (63.9%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

1.2 [mg/m3]

13 [mg/m3]

79 [mg/m3]

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1759 8/PG 2
hs_code: 29319090
risk_code: 34-36/37/38-20/21/22
hazard_code: C,Xn
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45-36
hazard_class: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 13 - Non Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1): ACTIVE

応用分野

使用Calcium trifluoromethanesulfonate is used for aminolysis of epoxides.

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