4-フルオロ-2-ニトロ安息香酸

4-Fluoro-2-nitrobenzoic acid

HCID 2737416
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基本情報

CAS
394-01-4
標準SMILES
O=C(O)c1ccc(F)cc1[N+](=O)[O-]
InChIKey
YLUCXHMYRQUERW-UHFFFAOYSA-N
分子式
C7H4FNO4
平均分子量
185.11 g/mol
単同位体質量
185.01243577

名称と識別子

優先名称
4-Fluoro-2-nitrobenzoic acid
IUPAC
4-fluoro-2-nitrobenzoic acid
現地名
4-フルオロ-2-ニトロ安息香酸
英語名
4-Fluoro-2-nitrobenzoic acid
分子式
C7H4FNO4
分子量
185.11

名称と別名

4-Fluoro-2-nitrobenzoic acid394-01-4EINECS 206-890-9DTXSID50192585RefChem:98965DTXCID90115076206-890-92-nitro-4-fluorobenzoic acid4-fluoro-2-nitrobenzoicacidbenzoic acid, 4-fluoro-2-nitro-MFCD000243004-Fluoro-2-nitro-benzoic acid
名称をさらに表示
4-フルオロ-2-ニトロ安息香酸4-フルオロ-2-ニトロ安息香酸, 98%BUTTPARK 45\01-65RARECHEM AL BO 1973Afatinib Impurity 982-Nitro-4-Fluoro Benzoic4-Fluor-2-nitrobenzoesure2-Nitro-4-Fluoroluere acid24-Fluoro-2-NitrobenzoicAc4-Fluoro-2-nitrobenzotc acid
XLA7LVL3HK4-Fluor-2-nitro-benzoesaureSCHEMBL4047504-fluoro-2-nitro benzoic acidCL4116SBB0285084-Fluoro-2-nitrobenzoic acid, 98%AKOS005255363

データベース識別子

CAS
394-01-4
PubChem CID
2737416
DTXSID
DTXSID50192585
UNII
XLA7LVL3HK
EC Number
206-890-9
Nikkaji
J213.628G

物性

構造計算による物性

XLogP
1.6
極性表面積
83.1 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
1
重原子数
13

物理化学的性質

融点
140 · 140-145 °C (lit.)
沸点
343.8 · 343.8±27.0 °C(Predicted)
比重(密度)
1.568 · 1.568±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 10 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90%)

安全データ

wgk
3
hs_code
29163990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39-37
hazard_class
IRRITANT

化学と産業

応用分野

使用4-Fluoro-2-nitrobenzoic acid has been used to study the reactions of substituted pyridines with the salicyl phosphate dianion.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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