Basic information
- CAS
445-83-0- Standard SMILES
COc1ccc(F)cc1[N+](=O)[O-]- InChIKey
FWLPYISRFBKEKV-UHFFFAOYSA-N- Molecular formula
- C7H6FNO3
- Average molar mass
- 171.13 g/mol
- Monoisotopic mass
- 171.03317127
Names & identifiers
- Preferred name
- 4-Fluoro-2-nitroanisole
- IUPAC
- 4-fluoro-1-methoxy-2-nitrobenzene
- English name
- 4-Fluoro-2-nitroanisole
- Molecular formula
- C7H6FNO3
- Molecular weight
- 171.13
Names & synonyms
4-Fluoro-2-nitroanisole445-83-0DTXSID70340561RefChem:98963DTXCID90291642625-581-3FWLPYISRFBKEKV-UHFFFAOYSA-N4-Fluoro-1-methoxy-2-nitrobenzeneMFCD00013375Benzene, 4-fluoro-1-methoxy-2-nitro-4-fluoro-2-nitro-anisoleSCHEMBL19075116
Show more names
4-Fluoro-2-nitro-methoxybenzene4-Fluoro-2-nitroanis4-Fluoro-2-nitroanisole>4-Fluoro-2-nitroanisole98%4-Fluoro-2-nitroanisole 98%445-83-0 4-Fluoro-2-nitroanisole1-Methoxy-2-nitro-4-fluorobenzene
4-Fluoro-2-nitroanisole, 98%1-fluoro-3-nitro-4-methoxybenzeneCS-W017658DS-14286F06154-fluoro-1-methoxy-2-nitro-benzeneAM61983FT-0618462
Database identifiers
- CAS
445-83-0- PubChem CID
- 565656
- DTXSID
DTXSID70340561- EC Number
- 625-581-3
- Nikkaji
- J308.986J
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
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 62 · 62-64 °C (lit.)
- Boiling point
- 272.4 · 272.4±20.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- InChI
- 1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
- InChIKey
- FWLPYISRFBKEKV-UHFFFAOYSA-N
- SMILES
- COc1ccc(F)cc1[N+]([O-])=O
- CAS DataBase Reference
- 445 · 445-83-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Fluoro-2-nitroanisole is formed during the photolysis of the charge transfer complex of tetranitromethane and 4-fluoroanisole in dichloromethane at -20°C.
General Description4-Fluoro-2-nitroanisole is formed during the photolysis of the charge transfer complex of tetranitromethane and 4-fluoroanisole in dichloromethane at -20°C.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
11 records
Compound notes
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