基本情報
- 標準SMILES
OB(O)c1ccccc1- InChIKey
HXITXNWTGFUOAU-UHFFFAOYSA-N- 分子式
- C6H7BO2
- 平均分子量
- 121.93 g/mol
概要
Phenylboronic acid is a member of boronic acids. It is functionally related to a boronic acid.
名称と識別子
- 優先名称
- Phenylboronic Acid
- IUPAC
- phenylboronic acid
- 英語名
- PhenylboronicAcid
- 分子量
- 0
名称と別名
Phenylboronic acid98-80-6Benzeneboronic acidBoronic acid, phenyl-DihydroxyphenylboranePhenyldihydroxyboraneBorophenylic acidPHENYL BORONIC ACIDDihydroxy(phenyl)boraneAcide phenylboriqueKyselina fenylboritaPhenylboron dihydroxide
名称をさらに表示
L12H7B02G5NSC-66487DTXSID9059179CHEBI:44923RefChem:562986DTXCID6049062202-701-9phenylboronate
データベース識別子
- CAS
90-80-6- ChEMBL
CHEMBL21485- ChEBI
CHEBI:44923- UNII
- L12H7B02G5
- EC Number
- 202-701-9
- Nikkaji
- J119.652I
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
- 2
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 79.1
実験および物理化学的性質
Chemical ClassesMetals -> Metalloid Compounds (Boron)
DrugsPharmaceuticals -> Listed in ZINC15
Boiling Point219 °C @760 [mm Hg]
Vapor Pressure0.00000856 [mmHg]
Physical DescriptionSolid; [Merck Index] White to off-white hygroscopic solid; [Acros Organics MSDS]
安全と法規制
GHS分類
GHS Classification
Warning
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 208 reports by companies from 17 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Boronic acid, phenyl-
Benzeneboronic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySpontaneously converts to benzene boronic anhydride (C6-H5-B-O) in dry air; [Merck Index] An irritant; Harmful by ingestion; [Acros Organics MSDS] See Boron.
Hazard Classes and CategoriesAcute Tox. 4 (96.6%)
安全と保護具
Protective Action Criteria (PAC)
2.2 [mg/m3]
24 [mg/m3]
150 [mg/m3]
化学と産業
用途と製造
General Manufacturing InformationBoronic acid, B-phenyl-: ACTIVE
サプライヤー4 社
沈阳龙邦商贸有限公司[email protected]
PARAGOS[email protected]
Service Chemical Inc.[email protected]
kemikalieimport[email protected]
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