CAS 819849-20-2 (2-Fluoro-5-nitrophenyl)boronic acid (HCID 2763280)

基本情報

CAS: 819849-20-2
標準SMILES: O=[N+]([O-])c1ccc(F)c(B(O)O)c1
InChIKey: SYAFEPQKPQIRAL-UHFFFAOYSA-N
分子式: C6H5BFNO4
平均分子量: 184.92 g/mol
単同位体質量: 185.029566

名称と識別子

優先名称: (2-Fluoro-5-nitrophenyl)boronic acid
IUPAC: (2-fluoro-5-nitrophenyl)boronic acid
現地名: 2‐フルオロ‐5‐ニトロフェニルボロン酸
英語名: 2-Fluoro-5-nitrophenylboronic acid
分子式: C6H5BFNO4
分子量: 184.92

名称と別名

(2-fluoro-5-nitrophenyl)boronic acidRefChem:395850965-406-02-Fluoro-5-nitrophenylboronic acid819849-20-2MFCD030929292-fluoro-5-nitrophenylboronicacid(2-fluoro-5-nitro-phenyl)boronic AcidBoronic acid, (2-fluoro-5-nitrophenyl)-SCHEMBL1199420CHEMBL5174005DTXSID30376866

名称をさらに表示

2‐フルオロ‐5‐ニトロフェニルボロン酸2-フルオロ-5-ニトロフェニルボロン酸3-Borono-4-fluoronitrobenzene5-NITRO-2-FLUOROPHENYLBORONIC ACID2-FLUORO-5-NITROBENZENEBORONIC ACIDB-(2-fluoro-5-nitrophenyl)-Boronic acidBoronic acid, B-(2-fluoro-5-nitrophenyl)-2-Fluoro-5-nitrophenylboronic acid - [F2277]2-Fluoro-5-nitrophenylboronic acid(contains varying amounts of Anhydride)

2-fluoro-5-nSCHEMBL29894970SBB0650802-fluoro-5-nitro phenyl boronic acidAKOS006346481AB13165CS-W002992AS-17775

データベース識別子

CAS: 819849-20-2
PubChem CID: 2763280
DTXSID: DTXSID30376866
ChEMBL: CHEMBL5174005
EC Number: 965-406-0
Nikkaji: J2.118.336I

物性

構造計算による物性

極性表面積: 86.3 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 198

物理化学的性質

沸点: 366.8 · 366.8±52.0 °C(Predicted)
比重(密度): 1.49 · 1.49±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): 6.72 · 6.72±0.58(Predicted)
外見: 粉
色: 白い
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C6H5BFNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H
InChIKey: SYAFEPQKPQIRAL-UHFFFAOYSA-N
SMILES: B(C1=CC([N+]([O-])=O)=CC=C1F)(O)O
CAS データベース: 819849 · 819849-20-2(CAS DataBase Reference)

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)

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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

PRTR法: 1-405
hs_code: 2931900090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

応用分野

使用2-Fluoro-5-nitrobenzeneboronic acid is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

サプライヤー92 社

郑州汇聚化工有限公司13393710386 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

化合物ノート

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