| Identification | More | [Name]
1,4-DINITROBENZENE | [CAS]
100-25-4 | [Synonyms]
1,4-DINITROBENZENE
1，4-Dinitrobenzenn
P-DINITROBENZENE
1,4-dinitro-benzen
Benzene, p-dinitro-
benzene,1,4-dinitro-
Dithane a-4
dithanea-4
nsc3809
para-dinitrobenzen
para-Dinitrobenzene
p-dinitro-benzen
1,4-DINITROBENZENE, 1000MG, NEAT
1,4-DINITROBENZENE, 1X1ML, MEOH, 2000UG/ ML
1,4-DINITROBENZENE OEKANAL, 250 MG
1,4-Dinitrobenzene, 98+%
1,4-dinitrlbenzene
p-dinitrlbinzene
1,4-dinitrobenzene solution
BENZENE,PARA-DINITRO- | [EINECS(EC#)]
202-833-7 | [Molecular Formula]
C6H4N2O4 | [MDL Number]
MFCD00007314 | [Molecular Weight]
168.11 | [MOL File]
100-25-4.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow powder | [Melting point ]
170-173 °C(lit.) | [Boiling point ]
183.4 °C34 mm Hg(lit.) | [density ]
1.625 g/mL at 25 °C(lit.)
| [vapor pressure ]
2.25 x 10-4 mmHg at 35 °C (Hine et al., 1963) | [refractive index ]
1.725 (589.3 nm) | [Fp ]
150 °C
| [storage temp. ]
2-8°C | [solubility ]
alcohol: soluble1g in 300ml | [form ]
Crystals or Powder | [color ]
Ochre to orange | [Stability:]
Stable, but may be shock-sensitive. May explode if heated. Incompatible with oxidizing agents, strong bases, nitric acid, many metals, tin oxides. | [Water Solubility ]
Soluble in water. (0.8 g/L) at 20°C. | [Merck ]
14,3273 | [BRN ]
1105828 | [Henry's Law Constant]
4.79(x 10-7 atm?m3/mol) at 35 °C (approximate - calculated from water solubility and vapor pressure) | [Exposure limits]
NIOSH REL: TWA 1, IDLH 50; OSHA PEL: TWA 1 ACGIH TLV:
TWA 0.15 ppm for all isomers (adopted). | [CAS DataBase Reference]
100-25-4(CAS DataBase Reference) | [EPA Substance Registry System]
p-Dinitrobenzene (100-25-4) |
| Safety Data | Back Directory | [Hazard Codes ]
T+,N | [Risk Statements ]
R26/27/28:Very Toxic by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R34:Causes burns.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3443 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
CZ7525000
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29042090 | [Safety Profile]
Suspected carcinogen.
Poison by ingestion. Mutation data reported.
Mxture with nitric acid is a high explosive.
When heated to decomposition it emits
toxic fumes of NOx. See also 0and mDINITROBENZENE | [Hazardous Substances Data]
100-25-4(Hazardous Substances Data) | [Toxicity]
IC50 (24-h) for river bacteria 1.27 mg/L (Yuan and Lang, 1997). |
| Hazard Information | Back Directory | [General Description]
Colorless to yellow solid. Sinks and mixes slowly with water. | [Reactivity Profile]
All three isomers have similar properties and may react vigorously with oxidizing materials. Their reaction with nitric acid (nitration) will lead to a mixture of trinitrobenzenes possessing high-explosive properties [Urbanski, 1967, vol. 3, p. 290]. If heat and reaction conditions of the nitration are not controlled, detonation comparable to TNT may occur [Anon., J. R. Inst. Chem., 1960, 84, p. 451]. Mixture of 1,3-dinitrobenzene with tetranitromethane was found highly explosive [Urbanski, 1964, vol. 1, 592]. 1,2-dinitrobenzene is a severe explosion hazard when shocked or exposed to heat or flame. When heated to decomposition all dinitrobenzens emit toxic fumes of nitrogen oxides [Sax, 9th ed., 1996, p. 1374]. | [Air & Water Reactions]
Slowly mixes with water. | [Health Hazard]
INHALATION OR INGESTION: Headache, vertigo, nausea, vomiting, diarrhea, fever, rapid weak pulse, decreased blood pressure, cyanosis, exhaustion, hepatomegaly, jaundice, albuminurea, hematuria, visual scotomata, amblyopia and nystagmus. EYES: Irritation. SKIN: Stains skin yellow; if skin contact is prolonged, can be absorbed into blood causing same symptoms as for inhalation. | [Chemical Properties]
light yellow powder | [Physical properties]
Clear, colorless to white crystalline solid or monoclinic crystals. Slowly turns yellow on exposure
to air. | [Uses]
1,4-Dinitrobenzene is used in a study to evaluate the ionization mechanism and solvent effect by novel atmospheric pressure photoionization mass spectrometry in negative ion mode for analysis of some compounds. 1,4-Dinitrobenzene can be used in synthesis of dyes and dye intermediates. | [Uses]
manufacture of dyes, dye intermediates, explosives, plastics. | [Definition]
ChEBI: A dinitrobenzene carrying nitro groups at positions 1 and 4. | [Environmental Fate]
Biological. In activated sludge inoculum, following a 20-d adaptation period, no biodegradation
was observed (Pitter, 1976).
Photolytic. Low et al. (1991) reported that the nitro-containing compounds (e.g., 2,4-
dinitrophenol) undergo degradation by UV light in the presence of titanium dioxide yielding
ammonium, carbonate, and nitrate ions. By analogy, 1,4-dinitrobenzene should degrade forming
identical ions.
Chemical/Physical. Releases toxic nitrogen oxides when heated to decomposition (Sax and
Lewis, 1987). 1,4-Dinitrobenzene will not hydrolyze in water (Kollig, 1993). | [Purification Methods]
Crystallise 1,4-dinitrobenzene from EtOH or EtOAc. Dry it under vacuum over P2O5. It can be sublimed in a vacuum. [Beilstein 5 IV 741.] |
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