CAS 64465-53-8 4-Fluoro-3-methoxyaniline (HCID 2774533)

名称と識別子

優先名称: 4-Fluoro-3-methoxyaniline
IUPAC: 4-fluoro-3-methoxyaniline
現地名: 4-フルオロ-3-メトキシアニリン
英語名: 4-Fluoro-3-methoxyaniline
分子式: C7H8FNO
分子量: 141.14

名称と別名

4-fluoro-3-methoxyaniline64465-53-8DTXSID00379081RefChem:292818DTXCID50330107634-503-74-fluoro-3-methoxyphenylamineBenzenamine, 4-fluoro-3-methoxy-4-fluoro-3-methoxy-anilineMFCD006657893-methoxy-4-fluoroaniline4-fluoro-3-methoxybenzenamine

名称をさらに表示

4-フルオロ-3-メトキシアニリンBUTTPARK 14\01-655-Amino-2-fluoroanisole4-Fluoro-3-Methoxybenzenamin4-Fluoro-3-methoxyaniline AldrichCPR5-Amino-2-fluoroanisole, 4-Fluoro-m-anisidine

4-fluoro3-methoxyaniline3-methoxy-4-fluoro-aniline4-fluoro-3-methoxy anilineSCHEMBL1106764-fluoro-3-(methyloxy)aniline4-fluoro-3-methoxy-phenylamineXAACOEWSHBIFGJ-UHFFFAOYSA-N(4-fluoro-3-methoxy-phenyl)-amine

データベース識別子

CAS: 64465-53-8
PubChem CID: 2774533
DTXSID: DTXSID00379081
EC Number: 634-503-7

物性

構造計算による物性

XLogP: 1.3
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 66 · 66-68
沸点: 135 °C · 135 °C(Press: 18 Torr)
比重(密度): 1.176 · 1.176±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
外見: solid
酸解離定数(Pka): 4.23 · 4.23±0.10(Predicted)
色: Brown to black
InChI: InChI=1S/C7H8FNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
InChIKey: XAACOEWSHBIFGJ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(OC)=C1
CAS データベース: 64465 · 64465-53-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (94.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (94.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 8 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 (95.9%)；Skin Irrit. 2 (98.6%)；Eye Dam. 1 (94.5%)；STOT SE 3 (97.3%)；Aquatic Chronic 3 (94.5%)

安全データ

wgk: WGK 3
hs_code: 2922290090
risk_code: 20/21/22-36/37/38-52-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用4-Fluoro-3-methoxyaniline serves as a precursor in the synthesis of 4-trifluoromethyl-4,5-dihydro-1H-pyrrole derivatives, formed by reacting with substituted β-oxoamides (such as N-(4-fluoro-3-methoxyphenyl)-3-oxobutanamide) and 3-bromo-1,1,1-trifluoropropan-2-one[4].