4-(2-Hydroxyethylcarbamoyl)benzeneboronic acid

HCID 44119359CAS 850593-04-3

基本情報

標準SMILES: O=C(NCCO)c1ccc(B(O)O)cc1
InChIKey: UEHHULJBSYEFDG-UHFFFAOYSA-N
分子式: C9H12BNO4
平均分子量: 209.01 g/mol
単同位体質量: 209.08593826

名称と識別子

優先名称: 4-(2-Hydroxyethylcarbamoyl)benzeneboronic acid
IUPAC: [4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid
英語名: 4-(2-Hydroxyethylcarbamoyl)benzeneboronic acid 98
分子式: C9H12BNO4
分子量: 209.01

名称と別名

4-(2-Hydroxyethylcarbamoyl)benzeneboronic acidRefChem:512525692-484-0850593-04-3(4-((2-Hydroxyethyl)carbamoyl)phenyl)boronic acid4-(2-Hydroxyethylcarbamoyl)phenylboronic acid[4-(2-hydroxyethylcarbamoyl)phenyl]boronic acidMFCD06659848{4-[(2-Hydroxyethyl)carbamoyl]phenyl}boronic acidBoronic acid, [4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-SCHEMBL2563018DTXSID30657167

名称をさらに表示

N-2-HYDROXYETHYL 4-BORONOBENZAMIDE4-(2-Hydroxyethylcarbamoyl)benzeneboronic acid 984-(2-Hydroxyethylcarbamoyl)benzeneboronic acid 98%Boronic acid, B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-

UEHHULJBSYEFDG-UHFFFAOYSA-NAKOS015856815BS-22343DB-108429CS-0174561H11859(4-((2-Hydroxyethyl)carbamoyl)phenyl)boronicacidF338226

データベース識別子

CAS: 850593-04-3
PubChem CID: 44119359
DTXSID: DTXSID30657167
EC Number: 692-484-0

物性

構造計算による物性

極性表面積: 89.8 Å²
水素結合供与体数: 4
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 204

物理化学的性質

融点: 228 · 228-230
比重(密度): 1.31 · 1.31±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
酸解離定数(Pka): 8.09 · 8.09±0.16(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2931900090
hazard_code: Xi
hazard_note: Irritant/Keep Cold

化学と産業

サプライヤー15 社

Aladdin Scientific[email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]