CAS 117342-20-8 3-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride) (HCID 2773492)

基本情報

CAS: 117342-20-8
標準SMILES: COC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1
InChIKey: CDGIRLKQNJXHBJ-UHFFFAOYSA-N
分子式: C8H8BNO6
平均分子量: 224.97 g/mol
単同位体質量: 225.0444671

名称と識別子

優先名称: 3-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: (3-methoxycarbonyl-5-nitrophenyl)boronic acid
現地名: 3-メトキシカルボニル-5-ニトロフェニルボロン酸
英語名: 3-Methoxycarbonyl-5-nitrophenylboronic acid
分子式: C8H8BNO6
分子量: 224.96

名称と別名

3-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride)RefChem:495384833-747-3117342-20-83-Methoxycarbonyl-5-nitrophenylboronic acid(3-(Methoxycarbonyl)-5-nitrophenyl)boronic acid3-(methoxycarbonyl)-5-nitrophenylboronic acidMFCD02179469[3-(methoxycarbonyl)-5-nitrophenyl]boronic acid(3-methoxycarbonyl-5-nitrophenyl)boronic acidBenzoic acid, 3-borono-5-nitro-, 1-methyl esterBDBM92723

名称をさらに表示

3-メトキシカルボニル-5-ニトロフェニルボロン酸3-(メトキシカルボニル)-5-ニトロフェニルボロン酸3-(メトキシカルボニル)-5-ニトロベンゼンボロン酸3‐メトキシカルボニル‐5‐ニトロフェニルボロン酸3-(ジヒドロキシボリル)-5-ニトロ安息香酸メチル[3-(メトキシカルボニル)-5-ニトロフェニル]ボロン酸-5-nitrophenyL3-Methoxycarbonyl-5-Nitropheny1-Methyl 3-borono-5-nitrobenzoate3-(Methoxycarbonyl)-5-nitrobenzeneboronic acid3-METHOXYCARBONYL-5-NITROPHENYLBORONIC ACID 98%3-Methoxycarbonyl-5-nitrophenylboronic acid - [M3991]3-METHOXYCARBONYL-5-NITROPHENYLBORONIC ACID ISO 9001：2015 REACH

物性

構造計算による物性

極性表面積: 113 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 278

物理化学的性質

融点: 250 · 250-255°C
沸点: 445.9 · 445.9±55.0 °C(Predicted)
比重(密度): 1.45 · 1.45±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder to crystal
酸解離定数(Pka): 6.13 · 6.13±0.10(Predicted)
色: White to Almost white
CAS データベース: 117342 · 117342-20-8(CAS DataBase Reference)

化学的性質

化学的特性White or off-white solid

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 (66.7%): 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 3 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. 2A (100%)；STOT SE 3 (66.7%)

安全データ

PRTR法: 第一種指定化学物質
hs_code: 29319090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-60-37
hazard_class: IRRITANT

化学と産業

応用分野

用途有機合成原料。

使用suzuki reaction

サプライヤー97 社

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

化合物ノート

読み込み中…

3-メトキシカルボニル-5-ニトロフェニルボロン酸