2-Morpholinopyrimidine-5-boronic acid

HCID 46864007
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基本情報

CAS
870521-33-8
標準SMILES
OB(O)c1cnc(N2CCOCC2)nc1
InChIKey
KFYQOIHLZBDFBU-UHFFFAOYSA-N
分子式
C8H12BN3O3
平均分子量
209.01 g/mol
単同位体質量
209.0971714

名称と識別子

優先名称
2-Morpholinopyrimidine-5-boronic acid
IUPAC
(2-morpholin-4-ylpyrimidin-5-yl)boronic acid
英語名
2-Morpholinopyrimidin-5-ylboronic acid
分子式
C8H12BN3O3
分子量
209.01

名称と別名

2-Morpholinopyrimidine-5-boronic acidRefChem:476313802-136-3870521-33-82-MORPHOLINOPYRIMIDIN-5-YLBORONIC ACID2-(Morpholine-4-yl)pyrimidine-5-boronic acidMFCD07375148(2-morpholinopyrimidin-5-yl)boronic acid(2-MORPHOLIN-4-YLPYRIMIDIN-5-YL)BORONIC ACID[2-(morpholin-4-yl)pyrimidin-5-yl]boronic acid(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic acid2-morpholinopyrimidin-5-ylboronicacid
名称をさらに表示
2-morpholino-5-pyrimidineboronic acid(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic2-Morpholinopyrimidin-5-ylboronic acid 95%[2-(4-Morpholinyl)-5-pyrimidinyl]boronic acidBoronic acid,B-[2-(4-morpholinyl)-5-pyrimidinyl]-2-Morpholinopyrimidine-5-boronic acid(contains varying amounts of Anhydride)
C8H12BN3O3[2-(morpholin-4-yl)pyrBoronic acid, [2-(4-morpholinyl)-5-pyrimidinyl]-SCHEMBL5525017DTXSID30676914KFYQOIHLZBDFBU-UHFFFAOYSA-NAKOS015855906AB41290

データベース識別子

CAS
870521-33-8
PubChem CID
46864007
DTXSID
DTXSID30676914
EC Number
802-136-3

物性

構造計算による物性

極性表面積
78.7 Ų
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
2
重原子数
15

物理化学的性質

沸点
484 · 484.0±55.0 °C(Predicted)
比重(密度)
1.37 · 1.37
貯蔵温度
2 · Inert atmosphere,2-8°C
酸解離定数(Pka)
3.02 · 3.02±0.19(Predicted)
外見
solid
InChI
1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (50%)

安全データ

wgk
WGK 3
hs_code
2934999090
Hazard Classifications
Acute Tox. 4 Oral
ストレージクラス
11 - Combustible Solids

化学と産業

上流・下流製品情報

サプライヤー54 社

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]
上海腾准生物科技有限公司19821570922 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

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