4-フルオロ-3-(ヒドロキシメチル)フェニルボロン酸

4-Fluoro-3-(hydroxymethyl)benzeneboronic acid

HCID 21865588
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基本情報

CAS
481681-02-1
標準SMILES
OCc1cc(B(O)O)ccc1F
InChIKey
PWMOQHMTXJYUGE-UHFFFAOYSA-N
分子式
C7H8BFO3
平均分子量
169.95 g/mol
単同位体質量
170.0550524

名称と識別子

優先名称
4-Fluoro-3-(hydroxymethyl)benzeneboronic acid
IUPAC
[4-fluoro-3-(hydroxymethyl)phenyl]boronic acid
現地名
4-フルオロ-3-(ヒドロキシメチル)フェニルボロン酸
英語名
4-Fluoro-3-(hydroxymethyl)benzeneboronic acid
分子式
C7H8BFO3
分子量
169.95

名称と別名

4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACIDRefChem:523161692-485-6481681-02-1[4-Fluoro-3-(Hydroxymethyl)Phenyl]Boronic Acid4-FLUORO-3-(HYDROXYMETHYL)PHENYLBORONIC ACID4-fluoro-3-hydroxymethylphenylboronic acidMFCD08235075(4-fluoro-3-(hydroxymethyl)phenyl)boronic acidSCHEMBL10192784-Fluoro-3-hydroxymethyl benzene boronic acid4-fluoro-3-hydroxymethyl-benzene-boronic acid
名称をさらに表示
4-フルオロ-3-(ヒドロキシメチル)フェニルボロン酸4-フルオロ-3-(ヒドロキシメチル)ベンゼンボロン酸uoro-3-(hydroxymethyL4-Fluoro-3-(hydroxymethyl)phenyl4-Fluoro-3-(hydroxymethyl)phenylboronic4-Fluoro-3-(hydroxymethyl)phenyl]boronicaci4-Fluoro-3-(hydroxymethyl)benzeneboronicacid98%4-Fluoro-3-(hydroxymethyl)benzeneboronic acid 98%[4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid ,98%Boronic acid, B-[4-fluoro-3-(hydroxymethyl)phenyl]-
N123044-Fluoro-3-(hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride)AMY29940Boronic acid, [4-fluoro-3-(hydroxymethyl)phenyl]-SCHEMBL29951218DTXSID60619071SBB088349AKOS006222936

データベース識別子

CAS
481681-02-1
PubChem CID
21865588
DTXSID
DTXSID60619071
EC Number
692-485-6

物性

構造計算による物性

極性表面積
60.7 Ų
水素結合供与体数
3
水素結合受容体数
4
回転可能結合数
2
重原子数
12

物理化学的性質

融点
124 · 124-126
沸点
365.8 · 365.8±52.0 °C(Predicted)
比重(密度)
1.35 · 1.35±0.1 g/cm3(Predicted)
貯蔵温度
Keep Cold
酸解離定数(Pka)
8.39 · 8.39±0.10(Predicted)
外見
powder to crystal

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 (50%): 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 (50%)

安全データ

PRTR法
第一種指定化学物質
hs_code
2931900090
hazard_code
Xi
hazard_note
Irritant/Keep Cold

化学と産業

応用分野

使用suzuki reaction

上流・下流製品情報

サプライヤー86 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

関連反応

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