2-フルオロ-5-(トリフルオロメトキシ)ベンゼンボロン酸

2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid

HCID 44717610
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基本情報

CAS
881402-22-8
標準SMILES
OB(O)c1cc(OC(F)(F)F)ccc1F
InChIKey
NGTLLTDDJHXHQE-UHFFFAOYSA-N
分子式
C7H5BF4O3
平均分子量
223.92 g/mol
単同位体質量
224.0267868

名称と識別子

優先名称
2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid
IUPAC
[2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid
現地名
2-フルオロ-5-(トリフルオロメトキシ)ベンゼンボロン酸
英語名
2-Fluoro-5-(trifluoromethoxy)phenylboronic acid
分子式
C7H5BF4O3
分子量
223.92

名称と別名

2-Fluoro-5-(trifluoromethoxy)benzeneboronic acidRefChem:472459640-184-5881402-22-8(2-Fluoro-5-(trifluoromethoxy)phenyl)boronic acid2-FLUORO-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID[2-Fluoro-5-(trifluoromethoxy)phenyl]boronic acidMFCD09027234LIGHTGREENSFYELLOWISHSCHEMBL257822Boronic acid,B-[2-fluoro-5-(trifluoromethoxy)phenyl]-DTXSID90660258
名称をさらに表示
2-フルオロ-5-(トリフルオロメトキシ)ベンゼンボロン酸3-Borono-alpha,alpha,alpha,4-tetrafluoroanisole2-Fluoro-5-(trifluoromethoxy)benzeneboronicacid97%2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid 97%Boronic acid, B-[2-fluoro-5-(trifluoromethoxy)phenyl]-
SBB071106AKOS015854342CS-W014228DS-3013BP-11093SY1014042-Fluoro-5-(trifluoromethoxy)benzeneboronic(2-Fluoro-5-(trifluoromethoxy)phenyl)boronicacid

データベース識別子

CAS
881402-22-8
PubChem CID
44717610
DTXSID
DTXSID90660258
EC Number
640-184-5

物性

構造計算による物性

極性表面積
49.7 Ų
水素結合供与体数
2
水素結合受容体数
7
回転可能結合数
2
重原子数
15

物理化学的性質

沸点
279.9 · 279.9±50.0 °C(Predicted)
比重(密度)
1.48 · 1.48±0.1 g/cm3(Predicted)
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka)
7.18 · 7.18±0.58(Predicted)
外見
powder
色
White to off-white

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 3 reports by companies from 3 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 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)

安全データ

hs_code
2931900090
risk_code
22
hazard_code
Xi,Xn
hazard_note
Irritant

化学と産業

サプライヤー44 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

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