2,3-ジフルオロフェニルボロン酸

(2,3-Difluorophenyl)boronic acid

HCID 2734333CAS 121219-16-7
部分構造検索類似構造を探す

基本情報

標準SMILES
OB(O)c1cccc(F)c1F
InChIKey
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
分子式
C6H5BF2O2
平均分子量
157.91 g/mol
単同位体質量
158.0350659

名称と識別子

優先名称
(2,3-Difluorophenyl)boronic acid
IUPAC
(2,3-difluorophenyl)boronic acid
現地名
2,3-ジフルオロフェニルボロン酸
英語名
2,3-Difluorophenylboronic acid
分子式
C6H5BF2O2
分子量
157.91

名称と別名

2,3-Difluorophenylboronic acid121219-16-7(2,3-difluorophenyl)boronic AcidDTXSID90370224RefChem:442137DTXCID80321260685-121-22,3-Difluorobenzeneboronic AcidMFCD018631702,3-Difluorophenylboronicacid(2,3-Difluorophenyl)BoranediolBoronic acid, (2,3-difluorophenyl)-
名称をさらに表示
2,3-ジフルオロフェニルボロン酸2,3-ジフルオロベンゼンボロン酸2,3‐ジフルオロフェニルボロン酸(2,3-ジフルオロフェニル)ボロン酸2,3-DiflRARECHEM AH PB 01662,3-DifluorophenylboDifluorophenylboronic aci2,3-difluorobenzorbic acid2,3-FLUOROBENZENE BORONIC ACID2,3-Dilfuorophenylboronic acid2,3-Difluorobenzeneboronicacid98%
difluorophenylboronic acidSCHEMBL43842,3 difluorophenyl boronic acid2,3-difluoro phenylboronic acid2,3-difluoro-phenylboronic acid2,3-difluorophenyl boronic acidSCHEMBL293990462,3-difluoro benzeneboronic acid

データベース識別子

CAS
121219-16-7
PubChem CID
2734333
DTXSID
DTXSID90370224
EC Number
601-759-6、685-121-2
Nikkaji
J720.576G

物性

構造計算による物性

極性表面積
40.5 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

融点
95 °C · 95 °C (dec.) (lit.)
沸点
274.8 · 274.8±50.0 °C(Predicted)
比重(密度)
1.35 · 1.35±0.1 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
soluble in Methanol
酸解離定数(Pka)
7.29 · 7.29±0.58(Predicted)

化学的性質

化学的特性Off-white to light beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (77.8%): 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 9 reports by companies from 6 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 Categories · 2 件

Acute Tox. 4 (11.1%)；Skin Irrit. 2 (88.9%)；Eye Irrit. 2A (88.9%)；STOT SE 3 (77.8%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk
3
PRTR法
第一種指定化学物質
hs_code
29163990
risk_code
36/37/38-22
hazard_code
Xn,Xi
safety_code
37/39-26-36/37

化学と産業

応用分野

用途有機合成原料。

使用2,3-Difluorophenylboronic acid is a useful reagent for the preparation of pharmaceutical and biologically active molecules.

上流・下流製品情報

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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