CAS 1408089-23-5 2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole (HCID 70975061)

基本情報

CAS: 1408089-23-5
標準SMILES: Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2o1
InChIKey: QFHIOYSELCPERT-UHFFFAOYSA-N
分子式: C14H18BNO3
平均分子量: 259.11 g/mol

名称と識別子

優先名称: 2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
IUPAC: 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
英語名: 2-Methylbenzo[d]oxazol-6-ylboronic acid pinacol ester
分子式: C14H18BNO3
分子量: 259.11

名称と別名

1408089-23-52-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazoleRefChem:475784833-209-82-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]OXAZOLE2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazoleMFCD131819712-Methylbenzoxazole-6-boronic Acid Pinacol EsterBenzoxazole, 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-METHYLBENZO[D]OXAZOL-6-YLBORONIC ACID PINACOL ESTER(2-METHYLBENZO[D]OXAZOL-6-YL)BORONIC ACID PINACOL ESTERSCHEMBL13718340

名称をさらに表示

2-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]OXAZOLE(WX652047)

(2-methyl-1,3-benzoxazol-6-yl)boronic acid pinacol esterQFHIOYSELCPERT-UHFFFAOYSA-NIGC08923AKOS024259291MB12489NCGC00662803-01AS-55641DA-45242

データベース識別子

CAS: 1408089-23-5
PubChem CID: 70975061
EC Number: 833-209-8

物性

構造計算による物性

極性表面積: 44.5 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 19
形式電荷: 0
複雑度: 345

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
色: Off-white to light yellow
InChI: InChI=1S/C14H18BNO3/c1-9-16-11-7-6-10(8-12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChIKey: QFHIOYSELCPERT-UHFFFAOYSA-N
SMILES: O1C2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C2N=C1C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.