CAS 61324-93-4 1-Fluoro-4-methoxy-2-nitrobenzene (HCID 565653)

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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 Å²
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

GHS classification

GHS Classification · 4 items

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.