4,4,5,5-Tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane

HCID 67397367
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基本情報

CAS
648904-89-6
標準SMILES
CC1(C)OB(c2ccc(S(=O)(=O)C(F)(F)F)cc2)OC1(C)C
InChIKey
SGJLAYCQVDMZOM-UHFFFAOYSA-N
分子式
C13H16BF3O4S
平均分子量
336.1 g/mol
単同位体質量
336.0814448

名称と識別子

優先名称
4,4,5,5-Tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane
IUPAC
4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane
英語名
4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane
分子式
C13H16BF3O4S
分子量
336.13

名称と別名

4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-[4-[(trifluoromethyl)sulfonyl]phenyl]-1,3,2-dioxaborolaneRefChem:507150857-548-6648904-89-62-(4-TRIFLUOROMETHANESULFONYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2] DIOXABOROLANE4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolaneMFCD28969495C13H16BF3O4SSCHEMBL2411475DTXSID801135365
名称をさらに表示
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[(trifluoromethyl)sulfonyl]phenyl]-
YAB90489HS-9069NCGC00662621-01DB-152969CS-0109764D76925EN300-2010530F617358

データベース識別子

CAS
648904-89-6
PubChem CID
67397367
DTXSID
DTXSID801135365
EC Number
857-548-6

物性

構造計算による物性

極性表面積
61 Ų
水素結合供与体数
0
水素結合受容体数
7
回転可能結合数
2
重原子数
22

物理化学的性質

沸点
383.9 · 383.9±42.0 °C(Predicted)
比重(密度)
1.31 · 1.31±0.1 g/cm3(Predicted)
貯蔵温度
Store at room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

サプライヤー9 社

上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]

関連反応

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