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| CAS No.: | 100-25-4 |
|---|---|
| Name: | 1,4-DINITROBENZENE |
| Article Data: | 144 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4 N2 O4 |
| Molecular Weight: | 168.109 |
| Synonyms: | Benzene,p-dinitro- (8CI); 1,4-Dinitrobenzene; NSC 3809; Para-dinitrobenzene;p-Dinitrobenzene |
| Density: | 1.486g/cm3 |
| Melting Point: |
170-173 °C(lit.) |
| Boiling Point: |
183.4 °C34 mm Hg(lit.) |
| Flash Point: | 154.4°C |
| Solubility: | Soluble in water. (0.8 g/L) at 20°C. |
| Appearance: | light yellow powder |
| Hazard Symbols: | A suspected carcinogen and poison by ingestion. TWA 0.15 ppm (skin). Mixture with nitric acid is a high explosive. |
| Risk Codes: | 26/27/28-33-34-50/53 |
| Safety: | Suspected carcinogen. Poison by ingestion. Mutation data reported. Mixture with nitric acid is a high explosive. When heated to decomposition it emits toxic fumes of NOx. See also o- and m-DINITROBENZENE. |
| PSA: | 91.64000 |
| LogP: | 2.54940 |
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| Conditions | Yield |
|---|---|
| With dinitrogen monoxide at 8℃; under 2250.23 Torr; Reagent/catalyst; Autoclave; | 98.4% |
| Conditions | Yield |
|---|---|
| With sodium nitrite In chloroform; water at 56℃; for 1h; | A 1% B 98% C 93 % Chromat. D 1 % Chromat. |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In trifluoroacetic acid for 10h; Ambient temperature; | 95% |
| With dihydrogen peroxide; trifluoroacetic acid |
| Conditions | Yield |
|---|---|
| With water; fluorine In chloroform; acetonitrile at -15℃; for 0.0333333h; | 95% |
| With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h; | 92% |
| With tert.-butylhydroperoxide; 3 A molecular sieve; zirconium(IV) tert-butoxide In dichloromethane for 2.5h; Ambient temperature; | 88% |
| Conditions | Yield |
|---|---|
| With nitric acid In 1,2-dichloro-ethane at 70℃; for 16h; Inert atmosphere; | 95% |
| With nitric acid; trifluoroacetic acid In water at 80℃; for 18h; regioselective reaction; | 63% |
| Conditions | Yield |
|---|---|
| With Perfluorooctanesulfonic acid; nitric acid; ytterbium(III) perfluorooctanesulfonate In hexane at 60℃; for 16h; | A 90% B 8% |
- 98-95-3
nitrobenzene
A
- 99-65-0
meta-dinitrobenzene
B
- 100-25-4
para-dinitrobenzene
C
- 528-29-0
1,2-Dinitrobenzene
| Conditions | Yield |
|---|---|
| With Iron(III) nitrate nonahydrate; phosphorus pentoxide In neat (no solvent) at 20℃; for 6h; Milling; Green chemistry; Overall yield = 98 percent; | A 86% B 3% C 9% |
| With nitronium hexafluorophosphate In nitromethane for 0.166667h; Product distribution; Ambient temperature; var. nitrating agents, var. solv., var. temp., rel. rate of the nitration; | A 86.9 % Chromat. B 1.9 % Chromat. C 11.1 % Chromat. |
| With methanesulfonic acid; Nitrogen dioxide; ozone In dichloromethane at -10 - 0℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h; | 82% |
| With trifluoroacetyl peroxide In dichloromethane at -5 - 5℃; for 1h; | 77% |
| With tert.-butylhydroperoxide; 3 A molecular sieve; zirconium(IV) tert-butoxide In dichloromethane for 4.5h; Ambient temperature; | 72% |
| With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane for 10h; Reflux; | 56% |
| With dichloromethane; dihydrogen peroxide; trifluoroacetic anhydride |
| Conditions | Yield |
|---|---|
| In water; acetone for 23h; Ambient temperature; | 82% |
- 905718-45-8
[(4-nitrophenyl)(phenyl)iodonium trifluoromethanesulfonate]
- 100-25-4
para-dinitrobenzene
| Conditions | Yield |
|---|---|
| With sodium nitrite In ethyl acetate at 70℃; for 16h; Temperature; Solvent; Sealed tube; | 82% |
- Total:27 Page 1 of 1 1
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Chemistry
MF: C6H4N2O4
MW: 168.11
EINECS: 202-833-7
Flash Point: 154.4 °C
Storage temp: 2-8°C
Index of Refraction: 1.612
Melting Point: 170-173 °C(lit.)
IUPAC Name: 1,4-dinitrobenzene
Density: 1.625 g/mL at 25 °C(lit.)
Enthalpy of Vaporization: 51.83 kJ/mol
Boiling Point: 299.9 °C at 760 mmHg
Vapour Pressure: 0.00206 mmHg at 25°C
Appearance: Pale-white or yellow solid.
Air & Water Reactions: Slowly mixes with water.
Stability: Stable, but may be shock-sensitive. May explode if heated. Incompatible with oxidizing agents, strong bases, nitric acid, many metals, tin oxides.
Synonyms: 1,4-Dinitrobenzen ; 1，4-Dinitrobenzenn ; P-Dinitrobenzen ; 1,4-Dinitro-benzen ; Benzene, p-dinitro- ; Benzene,1,4-dinitro- ; Dithane a-4 ; Dithanea-4
Following is the molecular structure of P-Dinitrobenzen (100-25-4):
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Uses
P-Dinitrobenzen (100-25-4) is used in organic synthesis.
Production
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. If heat and reaction conditions of the nitration are not controlled, detonation comparable to TNT may occur. Mixture of 1,3-dinitrobenzene with tetranitromethane was found highly explosive. 1,2-dinitrobenzene (100-25-4) 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.
Toxicity Data With Reference
| 1. | mmo-sat 5 µg/plate | CRNGDP Carcinogenesis. 6 (1985),727. | ||
| 2. | mma-sat 25 µg/plate | CRNGDP Carcinogenesis. 6 (1985),727. | ||
| 3. | orl-cat LDLo:29 mg/kg | 85ESA3 Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals. 11 (1989),516. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Suspected carcinogen. Poison by ingestion. Mutation data reported. Mixture with nitric acid is a high explosive. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of P-Dinitrobenzen (100-25-4):
Hazard Codes: T+,N
T+: Very Toxic .gif){kind=small}
N: Dangerous for the environment.gif){kind=small}
Risk Statements: 26/27/28-33-34-50/53
26/27/28: Very Toxic by inhalation, in contact with skin and if swallowed
33: Danger of cumulative effects
34: Causes burns
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 28-36/37-45-60-61
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36/37: Wear suitable protective clothing and gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 3443 6.1/PG 2
WGK Germany: 3
RTECS: CZ7525000
HazardClass: 6.1
PackingGroup: II
Standards and Recommendations
OSHA PEL: TWA 1 mg/m3 (skin)
ACGIH TLV: TWA 0.15 ppm (skin)
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
DOT Classification: 6.1; Label: Poison