Basic information
- CAS
64465-53-8- Standard SMILES
COc1cc(N)ccc1F- InChIKey
XAACOEWSHBIFGJ-UHFFFAOYSA-N- Molecular formula
- C7H8FNO
- Average molar mass
- 141.14 g/mol
- Monoisotopic mass
- 141.05899204
Names & identifiers
- Preferred name
- 4-Fluoro-3-methoxyaniline
- IUPAC
- 4-fluoro-3-methoxyaniline
- English name
- 4-Fluoro-3-methoxyaniline
- Molecular formula
- C7H8FNO
- Molecular weight
- 141.14
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
64465-53-8- PubChem CID
- 2774533
- DTXSID
DTXSID00379081- EC Number
- 634-503-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 66 · 66-68
- Boiling point
- 135 °C · 135 °C(Press: 18 Torr)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 4.23 · 4.23±0.10(Predicted)
- color
- 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 DataBase Reference
- 64465 · 64465-53-8(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335-H412
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
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%)
Safety data
- wgk
- WGK 3
- hs_code
- 2922290090
- risk_code
- 20/21/22-36/37/38-52-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
Chemistry & industry
Applications
Uses4-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].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
苏州道澜生物医药科技有限公司
Related reactions
55 records
Compound notes
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