1-Chloro-2,4-dinitro-5-fluorobenzene
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Basic information
- CAS
327-91-3- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1F- InChIKey
RXVKLMKODREOIW-UHFFFAOYSA-N- Molecular formula
- C6H2ClFN2O4
- Average molar mass
- 220.54 g/mol
- Monoisotopic mass
- 219.9687124
Names & identifiers
- Preferred name
- 1-Chloro-2,4-dinitro-5-fluorobenzene
- IUPAC
- 1-chloro-5-fluoro-2,4-dinitrobenzene
- English name
- 1-CHLORO-5-FLUORO-2,4-DINITROBENZENE
- Molecular formula
- C6H2ClFN2O4
- Molecular weight
- 220.54
Names & synonyms
1-Chloro-2,4-dinitro-5-fluorobenzeneRefChem:431172811-658-01-chloro-5-fluoro-2,4-dinitrobenzene327-91-3Benzene,1-chloro-5-fluoro-2,4-dinitro-MFCD00047671NSC102401-chloro-5-fluoro-2,4-dinitro-benzeneC6H2ClFN2O4SCHEMBL8967138SCHEMBL30434858
Show more names
1-Chloro-2,4-dinitro-5-fluorobenzene98%1-Chloro-2,4-dinitro-5-fluorobenzene 98%
RXVKLMKODREOIW-UHFFFAOYSA-DTXSID90278832NSC-10240SBB0960322-chloro-4-fluoro-1,5-dinitrobenzeneBenzene, 1-chloro-5-fluoro-2,4-dinitro-DB-048266InChI=1/C6H2ClFN2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
Database identifiers
- CAS
327-91-3- PubChem CID
- 223079
- DTXSID
DTXSID90278832- EC Number
- 811-658-0
- Nikkaji
- J149.691C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 74 °C · 74°C
- Boiling point
- 320.1 · 320.1±37.0 °C(Predicted)
- Density
- 1.705 · 1.705±0.06 g/cm3(Predicted)
- form
- powder
- color
- Light yellow
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
- Hazard Codes
- Xi,C
- Risk Statements
- 20 · 20/21/22-36/37/38-34
- Safety Statements
- 26 · 26-36/37/39-45
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, P317, 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
- wgk
- 3
- ridadr
- UN 3261 8 / PGII
- hs_code
- 2904990090
- risk_code
- 20/21/22-36/37/38-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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