N,N-Diethyl-5-fluoro-2,4-dinitrobenzenamine
Basic information
- CAS
6917-48-2- Standard SMILES
CCN(CC)c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
VXGQQIQVKRTBFG-UHFFFAOYSA-N- Molecular formula
- C10H12FN3O4
- Average molar mass
- 257.22 g/mol
- Monoisotopic mass
- 257.08118403
Names & identifiers
- Preferred name
- N,N-Diethyl-5-fluoro-2,4-dinitrobenzenamine
- IUPAC
- N,N-diethyl-5-fluoro-2,4-dinitroaniline
- English name
- N,N-Diethyl-2,4-dinitro-5-fluoroaniline*
- Molecular formula
- C10H12FN3O4
- Molecular weight
- 257.22
Names & synonyms
N,N-Diethyl-5-fluoro-2,4-dinitroaniline6917-48-2N,N-Diethyl-2,4-dinitro-5-fluoroanilineDTXSID20988876Benzenamine, N,N-diethyl-5-fluoro-2,4-dinitro-DEDNFARefChem:822298N,N-Diethyl-5-fluoro-2,4-dinitrobenzenamineDTXCID901416009230-025-4N,N-DIETHYL-2,4-DINITRO-5-FLUOROANILINE*EINECS 230-025-4
Show more names
N,N-DIETHYL-2,4-DINITRO-5-FLUOROANILINE* ISO 9001：2015 REACH
SCHEMBL8773116VXGQQIQVKRTBFG-UHFFFAOYSA-NAKOS022143666FD84807N,N-diethyl-2,4-dinitro-5-fluoranilinediethyl(5-fluoro-2,4-dinitrophenyl)amineST083314DB-214014
Database identifiers
- CAS
6917-48-2- PubChem CID
- 81328
- DTXSID
DTXSID20988876- EC Number
- 230-025-4
- Nikkaji
- J265.952B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 116 · 116-118 °C
- Boiling point
- 395.1 · 395.1±42.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- pka
- -1.21 · -1.21±0.50(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 36 · 36/37/39-45
- RIDADR
- 2811 · UN2811 6.1/PG 3
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- UN2811 6.1/PG 3
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 36/37/39-45
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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