3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide

HCID 67549036CAS 631911-09-6

基本情報

標準SMILES: Cc1cc(C(N)=O)ccc1B1OC(C)(C)C(C)(C)O1
InChIKey: APCPHCRRFATAOY-UHFFFAOYSA-N
分子式: C14H20BNO3
平均分子量: 261.13 g/mol

名称と識別子

優先名称: 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide
IUPAC: 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
英語名: 3-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide
分子式: C14H20BNO3
分子量: 261.12

名称と別名

631911-09-63-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamideRefChem:503846815-279-13-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide(4-Carbamoyl-2-methylphenyl)boronic acid, pinacol esterMFCD187327473-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideSCHEMBL2823437SCHEMBL30753270GAB91109DA-23366

名称をさらに表示

3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxyboronalkane-2-yl)benzamide

CS-0177574D93536EN300-3070662F692050A1-17137Z2049917034(4-Carbamoyl-2-methylphenyl)boronic acid, pinacol ester 97%Benzamide, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

データベース識別子

CAS: 631911-09-6
PubChem CID: 67549036
EC Number: 815-279-1

物性

構造計算による物性

極性表面積: 61.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 354

物理化学的性質

沸点: 374.2 · 374.2±42.0 °C(Predicted)
比重(密度): 1.09 · 1.09±0.1 g/cm3(Predicted)
酸解離定数(Pka): 15.97 · 15.97±0.50(Predicted)
外見: solid
色: Off-white

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2931900090

化学と産業

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