5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide

HCID 57589940
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基本情報

CAS
957344-92-2
標準SMILES
CC1(C)OB(c2ccc(C(N)=O)s2)OC1(C)C
InChIKey
SQHNPVGOAXWLAM-UHFFFAOYSA-N
分子式
C11H16BNO3S
平均分子量
253.13 g/mol
単同位体質量
253.0943947

名称と識別子

優先名称
5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
IUPAC
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
英語名
5-CarbaMoylthiophene-2-boronic acid pinacol ester, 96%
分子式
C11H16BNO3S
分子量
253.13

名称と別名

957344-92-25-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamideRefChem:531688849-646-25-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide5-Carbamoylthiophene-2-boronic acid pinacol esterMFCD172152145-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxylic acid amideSCHEMBL1475922SQHNPVGOAXWLAM-UHFFFAOYSA-NHS-4279NCGC00662929-01
名称をさらに表示
2-Thiophenecarboxamide, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
SY205016DB-196007CS-0289458EN300-255098G71845F7028555-CarbaMoylthiophene-2-boronic acid pinacol ester, 96%5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxamide

データベース識別子

CAS
957344-92-2
PubChem CID
57589940
EC Number
849-646-2

物性

構造計算による物性

極性表面積
89.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
2
重原子数
17

物理化学的性質

沸点
391.8 · 391.8±27.0 °C(Predicted)
比重(密度)
1.19 · 1.19±0.1 g/cm3(Predicted)
酸解離定数(Pka)
15.7 · 15.70±0.50(Predicted)
CAS データベース
957344 · 957344-92-2

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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 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 CategoriesSkin 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 H315

化学と産業

サプライヤー8 社

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]

関連反応

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化合物ノート

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