Basic information
- CAS
61324-93-4- Standard SMILES
COc1ccc(F)c([N+](=O)[O-])c1- InChIKey
ZRIKJXDEJYMBEJ-UHFFFAOYSA-N- Molecular formula
- C7H6FNO3
- Average molar mass
- 171.13 g/mol
- Monoisotopic mass
- 171.03317127
Names & identifiers
- Preferred name
- 1-Fluoro-4-methoxy-2-nitrobenzene
- IUPAC
- 1-fluoro-4-methoxy-2-nitrobenzene
- English name
- 4-fluoro-3-nitroanisole
- Molecular formula
- C7H6FNO3
- Molecular weight
- 171.13
Names & synonyms
1-Fluoro-4-methoxy-2-nitrobenzeneRefChem:432837821-328-84-Fluoro-3-nitroanisole61324-93-4MFCD118484421-Fluoro-4-methoxy-2-nitro-BenzeneBenzene, 1-fluoro-4-methoxy-2-nitro-3-Fluoro-4-nitrobenzene,-1-methoxy2-fluoro-5-methoxynitrobenzeneSCHEMBL31927462-Fluoro-5-methoxy-n
Show more names
4-flulro-3-nitroanisole3-Nitro-4-fluoroanisole1-fluoro-4-methoxy-2-nitrobenzene 4-fluoro-3-nitroanisole1-Fluoro-4-methoxy-2-nitrobenzene, 4-Fluoro-3-nitrophenyl methyl ether, 2-Fluoro-5-methoxynitrobenzene
SCHEMBL297443262-Fluoro-5-methoxy-nitrobenzeneDTXSID00340559TD10201-Fluoro-4-methoxy-2-nitrobenzene #AKOS015854343CS-W007748FF67718
Database identifiers
- CAS
61324-93-4- PubChem CID
- 565653
- DTXSID
DTXSID00340559- EC Number
- 821-328-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 279.5 · 279.5±20.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- Appearance
- Off-white to brown Solid
- InChI
- InChI=1S/C7H6FNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
- InChIKey
- ZRIKJXDEJYMBEJ-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=C(OC)C=C1[N+]([O-])=O
- CAS DataBase Reference
- 61324 · 61324-93-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2909309090 · 2909309090
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
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Fluoro-4-methoxy-2-nitrobenzene is a useful synthetic compound.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司
Related reactions
7 records
Compound notes
Loading…