2-Chloro-5-hydroxybenzeneboronic acid

HCID 44119342
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基本情報

CAS
913835-71-9
標準SMILES
OB(O)c1cc(O)ccc1Cl
InChIKey
SLAPQAZQRNMJLC-UHFFFAOYSA-N
分子式
C6H6BClO3
平均分子量
172.37 g/mol
単同位体質量
172.00985213

名称と識別子

優先名称
2-Chloro-5-hydroxybenzeneboronic acid
IUPAC
(2-chloro-5-hydroxyphenyl)boronic acid
英語名
2-CHLORO-5-HYDROXYBENZENEBORONIC ACID 98
分子式
C6H6BClO3
分子量
172.37

名称と別名

2-Chloro-5-hydroxybenzeneboronic acidRefChem:469349874-615-5913835-71-9(2-Chloro-5-hydroxyphenyl)boronic acid2-Chloro-5-hydroxyphenylboronic acidMFCD08689478SCHEMBL262997Boronic acid, (2-chloro-5-hydroxyphenyl)-DTXSID206571512-CHLORO-5-HYDROXYBENZENEBORONIC ACID 98(2-chloro-5-hydroxy-phenyl)boronic acid
名称をさらに表示
3-Borono-4-chlorophenol(2-Chloro-5-hydroxyphenyl)(2-Chloro-5-hydroxyphenyl)boronicaci2-Chloro-5-hydroxybenzeneboronic acid 98%Boronic acid, B-(2-chloro-5-hydroxyphenyl)-
Boronicacid, B-(2-chloro-5-hydroxyphenyl)-SCHEMBL29954835SLAPQAZQRNMJLC-UHFFFAOYSA-N(2-Chloro-5-hydroxyphenyl)boronicacid2-chloro-5-hydroxy-phenylboronic acid2-chloro-5-hydroxyphenyl boronic acidAKOS006222937AB48247

データベース識別子

CAS
913835-71-9
PubChem CID
44119342
DTXSID
DTXSID20657151
EC Number
874-615-5

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
3
回転可能結合数
1
重原子数
11

物理化学的性質

融点
263 · 263-265
沸点
404.2 · 404.2±55.0 °C(Predicted)
比重(密度)
1.49 · 1.49±0.1 g/cm3(Predicted)
貯蔵温度
2 · Inert atmosphere,2-8°C
外見
solid
酸解離定数(Pka)
7.96 · 7.96±0.58(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.

安全データ

hs_code
2931900090
risk_code
41
hazard_code
Xi
hazard_note
Irritant/Keep Cold
safety_code
26-39

化学と産業

応用分野

使用2-Chloro-5-hydroxybenzeneboronic Acid is used in the design and preparation arylaminobenzotriazines as inhibitors of AbI and AbI-T315I enzymes. As well as benzotriazine based small molecules as novel inhibitors of Src kinase.

サプライヤー51 社

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

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