2-メチルピリミジン-5-ボロン酸

2-Methylpyrimidine-5-boronic acid

HCID 45787274

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1034924-06-5
標準SMILES: Cc1ncc(B(O)O)cn1
InChIKey: BTJLWJOEZRVRNL-UHFFFAOYSA-N
分子式: C5H7BN2O2
平均分子量: 137.93 g/mol
単同位体質量: 138.0600576

名称と識別子

優先名称: 2-Methylpyrimidine-5-boronic acid
IUPAC: (2-methylpyrimidin-5-yl)boronic acid
現地名: 2-メチルピリミジン-5-ボロン酸
英語名: (2-METHYLPYRIMIDIN-5-YL)BORONIC ACID
分子式: C5H7BN2O2
分子量: 137.93

名称と別名

2-METHYLPYRIMIDINE-5-BORONIC ACIDRefChem:476248802-156-2(2-Methylpyrimidin-5-yl)boronic acid1034924-06-52-methylpyrimidin-5-ylboronic acidMFCD07375144SCHEMBL154802(2-METHYL-5-PYRIMIDINYL)-BORONIC ACID2-Methylpyrimidin-5-boronic acidDTXSID00671658(2-methyl-5-pyrimidinyl)boronic acid

名称をさらに表示

2-メチルピリミジン-5-ボロン酸JACS-1034924-06-5Methylpyrimidine-5-boronic acid(2-Methylpyrimidin-5-yl)boronicaci2-Methylpyrimidine-5-boronic acid 96%2-methylpyrimidin-5-yl-5-boronic acidB-(2-Methyl-5-pyrimidinyl)boronic acidB-(2-Methylpyrimidin-5-yl)boronic acid

BTJLWJOEZRVRNL-UHFFFAOYBTJLWJOEZRVRNL-UHFFFAOYSA-N(2-Methylpyrimidin-5-yl)boronicacidAKOS006287051PB29430DA-16087DS-13107SY025035

データベース識別子

CAS: 1034924-06-5
PubChem CID: 45787274
DTXSID: DTXSID00671658
EC Number: 802-156-2
Nikkaji: J3.798.828F

物性

構造計算による物性

極性表面積: 66.2 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 104

物理化学的性質

沸点: 308.3 · 308.3±34.0 °C(Predicted)
比重(密度): 1.26 · 1.26
貯蔵温度: 2 · Inert atmosphere,2-8°C
酸解離定数(Pka): 5.48 · 5.48±0.11(Predicted)
外見: solid
色: white
InChI: InChI=1S/C5H7BN2O2/c1-4-7-2-5(3-8-4)6(9)10/h2-3,9-10H,1H3
InChIKey: BTJLWJOEZRVRNL-UHFFFAOYSA-N
SMILES: B(C1=CN=C(C)N=C1)(O)O

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 2 reports by companies from 2 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: 2933599590

化学と産業

サプライヤー100 社

杭州达康新材料有限公司18753078059 · [email protected]

Changzhou Carman Chemical Co., Ltd.15061933924

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

天津羲泽润科技有限公司18622687818 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

化合物ノート

読み込み中…