Cyclopropylboronic acid (HCID 2760897)

名称と識別子

優先名称: Cyclopropylboronic acid
IUPAC: cyclopropylboronic acid
現地名: シクロプロピルボロン酸
英語名: Cyclopropylboronic acid
分子式: C3H7BO2
分子量: 85.9

名称と別名

Cyclopropylboronic acid411235-57-9DTXSID00375402RefChem:129954DTXCID20326431609-890-0Cyclopropyl Boronic AcidMFCD04038750CYCLOPROPANEBORONIC ACIDBORONIC ACID, CYCLOPROPYL-cyclopropylboranediolcyclopropyboronic acid

名称をさらに表示

シクロプロピルボロン酸シクロプロピルジヒドロキシボランシクロプロピル(ジヒドロキシ)ボランCyclopropylboronicAKOS BRN-0457BoronocyclopropaneCyclopropylboronicaCYCLOROPYLBORONIC ACIDB-Cyclopropylboronic AcidCyclopropylboronic acid 95%

cylcopropylboronic acidcycloproyl boronic acidcyclopropanylboronic acidAC-6414BP-10013HY-59219Cyclopropylboronicacidcyclopropyl-boronic acid

データベース識別子

CAS: 411235-57-9
PubChem CID: 2760897
DTXSID: DTXSID00375402
EC Number: 609-890-0
Nikkaji: J1.792.918F

物性

構造計算による物性

極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 50.8

物理化学的性質

融点: 90 · 90-95 °C (lit.)
沸点: 205.1 · 205.1±23.0 °C(Predicted)
比重(密度): 1.11 · 1.11±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
溶解性: DMSO
酸解離定数(Pka): 10.49 · 10.49±0.20(Predicted)
外見: 粉
色: 白い
InChI: InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
InChIKey: WLVKDFJTYKELLQ-UHFFFAOYSA-N
SMILES: C1CC1B(O)O
CAS データベース: 411235 · 411235-57-9(CAS DataBase Reference)

化学的性質

化学的特性White to off-white powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 6.7% (1 of 15) of reports.

Danger

H242 (20%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P203, P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSelf-react. C (20%)

安全データ

wgk: 3
tsca: No
PRTR法: 1-405
hs_code: 29319090
risk_code: 22-36-61-60-36/37/38
hazard_code: Xn,T
safety_code: 26-36-45-53-37/39
hazard_class: IRRITANT, IRRITANT-HARMFUL
Hazard Classifications: Repr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 1 件

使用Reagent used for• ;Microwave-assisted copper(II)-catalyzed N-cyclopropylation1• ;Nickel- and copper-catalyzed Suzuki-Miyaura coupling reaction of arenes2• ;Palladacycle-catalyzed Suzuki-cross coupling of aryl halides with cyclopropylboronic acid3• ;Palladium(0)-catalyzed cyclopropane C-H bond functionalization4• ;Palladium-catalyzed decarboxylative coupling5• ;Palladium-catalyzed ligand-directed oxidative functionalization of cyclopropanes6• ;Palladium-catalyzed Suzuki coupling reaction7Reagent used in Preparation of• ;Diaryl ketones by arylation