CAS 1195-66-0 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 10975759)

基本情報

CAS: 1195-66-0
標準SMILES: COB1OC(C)(C)C(C)(C)O1
InChIKey: JZZJAWSMSXCSIB-UHFFFAOYSA-N
分子式: C7H15BO3
平均分子量: 158.01 g/mol
単同位体質量: 158.11142474

名称と識別子

優先名称: 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名: 2-メトキシ-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン
英語名: 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
分子式: C7H15BO3
分子量: 158

名称と別名

2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-0DTXSID00450364RefChem:87818DTXCID50401184601-623-6Methoxyboronic acid pinacol esterMFCD030930861,3,2-Dioxaborolane, 2-methoxy-4,4,5,5-tetramethyl-MethoxyboronicacidpinacolesterC7H15BO3methoxyboronic acid, pinacol ester

名称をさらに表示

2-メトキシ-4,4,5,5-テトラメチル-1,3,2-ジオキサボロランメトキシボロン酸ピナコールMeO-BpinCrizotinib Impurity 15Methyl pinacolyl borate2-Methoxy-4,4,5,5-tetramethyLMethoxyboroniceacidpinacolesterMethoxyboronic acid pinacol esteMehtoxy boronic acid pinacol ester2-Methoxy-4,4,5,5-tetramethyl-1,3,2METHYL DIHYDROGEN BORATE PINACOL ESTER

SCHEMBL510041JZZJAWSMSXCSIB-UHFFFAOYSA-Nmethoxy boronic acid pinacol esterSBB058568AKOS015850880CS-W020633SY026106M1714

データベース識別子

CAS: 1195-66-0
PubChem CID: 10975759
DTXSID: DTXSID00450364
EC Number: 601-623-6
Nikkaji: J1.428.799J

物性

構造計算による物性

極性表面積: 27.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 140

物理化学的性質

沸点: 120 °C · 120°C 228mm
比重(密度): 0.9642 g/mL · 0.9642 g/mL at 25 °C
屈折率: 1.4096 · 1.4096
闪点: 108 °F · 108°F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
BRN: 2827758 · 2827758
InChI: InChI=1S/C7H15BO3/c1-6(2)7(3,4)11-8(9-5)10-6/h1-5H3
InChIKey: JZZJAWSMSXCSIB-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1OC
CAS データベース: 1195 · 1195-66-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.