2-フルオロ-4-メチルピリジン-5-ボロン酸

2-Fluoro-4-methylpyridine-5-boronic acid

HCID 44118243
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
1072944-18-3
標準SMILES
Cc1cc(F)ncc1B(O)O
InChIKey
BAVHOAIWOSIBRD-UHFFFAOYSA-N
分子式
C6H7BFNO2
平均分子量
154.94 g/mol
単同位体質量
155.0553868

名称と識別子

優先名称
2-Fluoro-4-methylpyridine-5-boronic acid
IUPAC
(6-fluoro-4-methyl-3-pyridinyl)boronic acid
現地名
2-フルオロ-4-メチルピリジン-5-ボロン酸
英語名
2-Fluoro-4-methylpyridine-5-boronic acid
分子式
C6H7BFNO2
分子量
154.93

名称と別名

2-Fluoro-4-methylpyridine-5-boronic acidRefChem:472391691-618-51072944-18-32-Fluoro-4-methyl-5-pyridineboronic acid(6-fluoro-4-methylpyridin-3-yl)boronic acidMFCD087414066-Fluoro-4-methyl-3-pyridineboronic Acid(6-fluoro-4-methyl-3-pyridinyl)boronic acid2-Fluoro-4-methylpyridine-5-boronic2-Fluoro-4-Methylpyridine-5-BoronicAcid2-Fluoro-4-methyl-5-pyridineboronicacid
名称をさらに表示
2-フルオロ-4-メチルピリジン-5-ボロン酸CAS:1072944-18-32-F -4-Me-5-pyridine boronic acid3-Borono-6-fluoro-4-methylpyridine2-Fluoro-4-Methylpyridine-5-BoronicAci6-Fluoro-4-methylpyridine-3-boronic acid
EN300-316411F15471(6-fluoro-4-methyl-3-pyridyl)boronic acidAMY7909BCP106332-Fluoro-4-methylpyridSCHEMBL2725352SCHEMBL30087245

データベース識別子

CAS
1072944-18-3
PubChem CID
44118243
DTXSID
DTXSID70656790
EC Number
691-618-5

物性

構造計算による物性

極性表面積
53.4 Ų
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
11

物理化学的性質

沸点
331.6 · 331.6±52.0 °C(Predicted)
比重(密度)
1.28 · 1.28±0.1 g/cm3(Predicted)
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka)
7.05 · 7.05±0.58(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

hs_code
2933399990

化学と産業

サプライヤー100 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

関連反応

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