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| CAS No.: | 148-01-6 |
|---|---|
| Name: | Dinitolmide |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7N3O5 |
| Molecular Weight: | 225.161 |
| Synonyms: | o-Toluamide,3,5-dinitro- (6CI,8CI);2-Methyl-3,5-dinitrobenzamide;3,5-Dinitro-2-methylbenzamide;3,5-Dinitro-o-toluamide;Coccidin;Coccidine A;Coccidot;Salcostat;Zoalene;Zoamix; |
| EINECS: | 205-706-4 |
| Density: | 1.52 g/cm3 |
| Melting Point: | 183-185 °C(lit.) |
| Boiling Point: | 298 °C at 760 mmHg |
| Flash Point: | 134 °C |
| Appearance: | Yellowish, crystalline solid |
| Hazard Symbols: |
 Xn, F
|
| Risk Codes: | 22-36-20/21/22-11 |
| Safety: | 26-36-16 |
| Transport Information: | UN 1648 3/PG 2 |
| PSA: | 134.73000 |
| LogP: | 2.65700 |
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- 39614-85-2
2-methyl-3,5-dinitro-benzoyl chloride
- 148-01-6
zoalene
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; ammonium bicarbonate at 40℃; for 0.5h; Large scale; | 85.9% |
| With ammonium hydroxide | |
| Multi-step reaction with 2 steps 1: ethanol 2: aqueous ammonia View Scheme | |
| With ammonium hydroxide In dichloromethane at 0℃; for 1.5h; |
- 854646-60-9
2-methyl-3,5-dinitrobenzoic acid ethyl ester
- 148-01-6
zoalene
| Conditions | Yield |
|---|---|
| With ammonium hydroxide |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: sulfuric acid; nitric acid 2: phosphorus (V)-chloride 3: ethanol 4: aqueous ammonia View Scheme | |
| Multi-step reaction with 3 steps 1: sulfuric acid; nitric acid 2: phosphorus (V)-chloride 3: aqueous ammonia View Scheme | |
| Multi-step reaction with 3 steps 1: sulfuric acid; nitric acid / Large scale 2: thionyl chloride / Large scale 3: ammonium hydroxide; ammonium bicarbonate / 0.5 h / 40 °C / Large scale View Scheme |
- 28169-46-2
3,5-dinitro-o-toluic acid
- 148-01-6
zoalene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: phosphorus (V)-chloride 2: ethanol 3: aqueous ammonia View Scheme | |
| Multi-step reaction with 2 steps 1: phosphorus (V)-chloride 2: aqueous ammonia View Scheme | |
| Multi-step reaction with 2 steps 1: thionyl chloride; sulfuric acid / 0.23 h / Inert atmosphere; Reflux 2: ammonium hydroxide / dichloromethane / 1.5 h / 0 °C View Scheme |
| Conditions | Yield |
|---|---|
| Stage #1: zoalene; 3-phenyl-propenal With (S)-2-(((tert-butyldimethylsilyl)oxy)diphenylmethyl)pyrrolidine; dmap In acetonitrile at 40℃; for 48h; Stage #2: ethyl (triphenylphosphoranylidene)acetate In acetonitrile at 0 - 20℃; for 2h; enantioselective reaction; | 40% |
- 148-01-6
zoalene
- 35572-78-2
2-amino-4,6-dinitrotoluene
| Conditions | Yield |
|---|---|
| With sodium hypochlorite und Erwaermen des Reaktionsprodukts mit Wasser; |
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; cyclohexene In ethanol at 51℃; |
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Chemistry
Molecular Structure of Dinitolmide (CAS NO.148-01-6):
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IUPAC Name: 2-methyl-3,5-dinitrobenzamide
Empirical Formula: C8H7N3O5
Molecular Weight: 225.1583
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 111.95Å2
Index of Refraction: 1.636
Molar Refractivity: 53.09 cm3
Molar Volume: 148 cm3
Surface Tension: 71.2 dyne/cm
Density: 1.52 g/cm3
Flash Point: 134 °C
Enthalpy of Vaporization: 53.79 kJ/mol
Boiling Point: 298 °C at 760 mmHg
Vapour Pressure: 0.00131 mmHg at 25°C
EINECS: 204-499-8
Melting point: 183-185 °C(lit.)
Storage temp: 0-6°C
Product Categories: Feed additives; Amides; Carbonyl Compounds; Organic Building Blocks
InChI
InChI=1/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
Smiles
c1(c(c(cc(c1)[N+]([O-])=O)[N+]([O-])=O)C)C(N)=O
Toxicity Data With Reference
| 1. | mmo-esc 500 µg/plate | MUREAV Mutation Research. 77 (1980),21. | ||
| 2. | mrc-bcs 1 mg/disc | MUREAV Mutation Research. 77 (1980),21. | ||
| 3. | orl-rat LD50:600 mg/kg | 29ZVAB Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,537. | ||
| 4. | ivn-dog LD50:75 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: 1966)1252. |
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. Mutation data reported. A strong exothermic reaction above 248°C has caused industrial explosions. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Hazard Codes: 
Xn,
F
Risk Statements: 22-36-20/21/22-11
R22:Harmful if swallowed.
R36:Irritating to eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
Safety Statements: 26-36-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S16:Keep away from sources of ignition.
RIDADR: UN 1648 3/PG 2
WGK Germany: 3
RTECS: XS4200000
Standards and Recommendations
OSHA PEL: TWA 5 mg/m3
ACGIH TLV: TWA 5 mg/m3; Not Classifiable as a Human Carcinogen
Specification
Dinitolmide , with CAS number of 148-01-6, can be called 2-Methyl-3,5-dinitrobenzamide ; 3,5-Dinitro-o-toluamide ; Benzamide, 2-methyl-3,5-dinitro- ; Dinitolmidum . Dinitolmide (CAS NO.148-01-6) is a fodder additive for poultry, used to prevent coccidiosis infections.