2-チオフェンボロン酸

2-Thiopheneboronic acid

HCID 2733960CAS 6165-68-0
部分構造検索類似構造を探す

基本情報

標準SMILES
OB(O)c1cccs1
InChIKey
ARYHTUPFQTUBBG-UHFFFAOYSA-N
分子式
C4H5BO2S
平均分子量
127.96 g/mol
単同位体質量
128.0103307

名称と識別子

優先名称
2-Thiopheneboronic acid
IUPAC
thiophen-2-ylboronic acid
現地名
2-チオフェンボロン酸
英語名
2-Thiopheneboronic acid
分子式
C4H5BO2S
分子量
127.96

名称と別名

2-Thiopheneboronic acid2-Thienylboronic acidRefChem:483759612-186-6Thiophene-2-boronic acid6165-68-0thiophen-2-ylboronic acidMFCD00151850Thienylboronic acidthiophen-2-ylboranediol(thiophen-2-yl)boronic acidthiophene2-boronic acid
名称をさらに表示
2-チオフェンボロン酸チオフェン-2-ボロン酸2-チエニルボロン酸2‐チオフェンボロン酸2-チオフェンボロン酸, min. 97%チオフェン-2-ボロン酸, 98%TIMTEC-BB SBB0042432-thiophenylboric acidAKOS BRN-0022BUTTPARK 98\04-232-BoronothiopheneThienylboronic aciRARECHEM AH PB 0243
2-thiophen boronic acid2-thiophenylboronic acidthiophen-2-boronic acid2-thiophene boronic acidthiophene 2-boronic acidthiophenyl 2-boronic acidthiophen-2-yl-boronic acidthiophen-2-yl-2-boronic acid

データベース識別子

CAS
6165-68-0
PubChem CID
2733960
DTXSID
DTXSID60370059
ChEMBL
CHEMBL141272
EC Number
612-186-6
Nikkaji
J633.709K

物性

構造計算による物性

極性表面積
68.7 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
1
重原子数
8

物理化学的性質

融点
138 · 138-140 °C (lit.)
沸点
287.9 · 287.9±32.0 °C(Predicted)
比重(密度)
1.32 · 1.32±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
溶解性
メタノールに可溶。
酸解離定数(Pka)
8.41 · 8.41±0.53(Predicted)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): 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 51 reports by companies from 11 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 (84.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

安全データ

wgk
3
PRTR法
第一種指定化学物質
hs_code
29339900
risk_code
22-36/37/38
hazard_code
Xn,Xi
hazard_note
Harmful/Irritant/Keep Cold

化学と産業

応用分野 · 1 件

使用2-Thiopheneboronic acid can be used as reagent used for Palladium-catalyzed Suzuki-Miyaura cross-couplings; Alkylation, boration, coupling reaction, Suzuki coupling, and halogenation of fluorenyl bromide ;Chain-growth catalyst transfer polycondensation of conjugated alternating copolymer; Ferric perchlorate-promoted reaction of fullerene to give fullerenyl boronic esters.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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