(2-(Difluoromethyl)phenyl)boronic acid

HCID 44717243
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基本情報

CAS
879275-70-4
標準SMILES
OB(O)c1ccccc1C(F)F
InChIKey
RTUHFDBTYFIWMU-UHFFFAOYSA-N
分子式
C7H7BF2O2
平均分子量
171.94 g/mol
単同位体質量
172.050716

名称と識別子

優先名称
(2-(Difluoromethyl)phenyl)boronic acid
IUPAC
[2-(difluoromethyl)phenyl]boronic acid
英語名
2-Difluoromethyl-phenylboronic acid
分子式
C7H7BF2O2
分子量
171.94

名称と別名

879275-70-4(2-(difluoromethyl)phenyl)boronic acid[2-(difluoromethyl)phenyl]boronic acidDTXSID90660132RefChem:205680DTXCID60610881836-337-22-Difluoromethyl-phenylboronic acid2-(difluoromethyl)phenylboronic acidMFCD09864669Boronic acid,B-[2-(difluoromethyl)phenyl]-2-Difluoromethylphenylboronic acid
名称をさらに表示
Boronic acid, B-[2-(difluoromethyl)phenyl]-2-Difluoromethyl-phenylboronic acid ISO 9001：2015 REACH
SCHEMBL4013443SCHEMBL29951757TQU0171SBB088559(2-(difluoromethyl)phenyl)boronicacid2-(Difluoromethyl)benzeneboronic acidAKOS015852890CS-W000091

データベース識別子

CAS
879275-70-4
PubChem CID
44717243
DTXSID
DTXSID90660132
EC Number
836-337-2

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
4
回転可能結合数
2
重原子数
12

物理化学的性質

沸点
301.1 · 301.1±52.0 °C(Predicted)
比重(密度)
1.27 · 1.27±0.1 g/cm3(Predicted)
貯蔵温度
2 · Storage temp. 2-8°C
酸解離定数(Pka)
8.25 · 8.25±0.58(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): 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 (100%): 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 2 reports by companies from 2 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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

注意喚起語
警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

サプライヤー24 社

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]

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