1-Fluoro-3-methoxy-5-nitrobenzene
Basic information
- CAS
7087-60-7- Standard SMILES
COc1cc(F)cc([N+](=O)[O-])c1- InChIKey
FPDLQPICBDMTLB-UHFFFAOYSA-N- Molecular formula
- C7H6FNO3
- Average molar mass
- 171.13 g/mol
- Monoisotopic mass
- 171.03317122
Names & identifiers
- Preferred name
- 1-Fluoro-3-methoxy-5-nitrobenzene
- IUPAC
- 1-fluoro-3-methoxy-5-nitrobenzene
- English name
- 1-fluoro-3-methoxy-5-nitrobenzene
- Molecular formula
- C7H6FNO3
- Molecular weight
- 171.13
Names & synonyms
1-fluoro-3-methoxy-5-nitrobenzeneRefChem:432811852-278-57087-60-73-Fluoro-5-nitroanisoleMFCD11848484NSC109620SCHEMBL4824913DTXSID70296493AKOS015853011NSC-109620SY028335
Show more names
131286Benzene, 1-fluoro-3-methoxy-5-nitro-
CS-0100493EN300-1065461-Fluoro-3-methoxy-5-nitro-benzeneA866530HAA08760DB-348215F218724
Database identifiers
- CAS
7087-60-7- PubChem CID
- 269074
- DTXSID
DTXSID70296493- EC Number
- 852-278-5
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- Melting point
- 85 °C · 85 °C
- Boiling point
- 244.5 · 244.5±20.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- 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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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