4-(N-メチルアミノ)フェニルボロン酸, ピナコールエステル

N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

HCID 11957892
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基本情報

CAS
845870-55-5
標準SMILES
CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey
WWGNYCWKFZIQQS-UHFFFAOYSA-N
分子式
C13H20BNO2
平均分子量
233.12 g/mol
単同位体質量
233.158709

名称と識別子

優先名称
N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
現地名
4-(N-メチルアミノ)フェニルボロン酸, ピナコールエステル
英語名
4-(N-METHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
分子式
C13H20BNO2
分子量
233.11

名称と別名

N-METHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINERefChem:830471691-769-7845870-55-5N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline4-(N-METHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER4-(N-Methylamino)phenylboronic acid pinacol esterMFCD067956684-(methylamino)phenylboronic acid pinacol esterBenzenamine, N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL4841284-(methylamino)phenylboronic acid pinacol ester, 97%
名称をさらに表示
4-(N-メチルアミノ)フェニルボロン酸, ピナコールエステル4-(メチルアミノ)フェニルボロン酸ピナコールエステルN-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
(4-(METHYLAMINO)PHENYL)BORONIC ACID PINACOL ESTERDTXSID20474709WWGNYCWKFZIQQS-UHFFFAOYSA-NAKOS015960129methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amineFM32978NCGC00662619-01AS-18796

データベース識別子

CAS
845870-55-5
PubChem CID
11957892
DTXSID
DTXSID20474709
EC Number
691-769-7

物性

構造計算による物性

極性表面積
30.5 Ų
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
17

物理化学的性質

沸点
341.7 · 341.7±25.0 °C(Predicted)
比重(密度)
1.01 · 1.01±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C(protect from light)
酸解離定数(Pka)
4.16 · 4.16±0.42(Predicted)

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 4 reports by companies from 3 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. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code
2931900090

化学と産業

上流・下流製品情報

サプライヤー46 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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