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Basic Information
| CAS No.: | 119-33-5 |
|---|---|
| Name: | 2-Nitro-p-cresol |
| Article Data: | 170 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7NO3 |
| Molecular Weight: | 153.137 |
| Synonyms: | NSC 5387;NSC 66511;o-Nitro-p-methylphenol;p-Cresol,2-nitro- (7CI,8CI);2-Nitro-4-methylphenol;2-Nitro-p-cresol;4-Hydroxy-3-nitrotoluene; |
| EINECS: | 204-315-6 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 32-35 °C(lit.) |
| Boiling Point: | 231.1 °C at 760 mmHg |
| Flash Point: | 108.3 °C |
| Solubility: | slightly soluble in water |
| Appearance: | yellow to brownish low melting crystalline mass |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-45-28A |
| Transport Information: | UN 2446 6.1/PG 3 |
| PSA: | 66.05000 |
| LogP: | 2.13200 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With (NH4)2Ce(NO3)6 on Ca-bentonite In chloroform at 25℃; for 48h; | 98.5% |
| With toluene-4-sulfonic acid; nickel(II) nitrate In acetone at 20℃; for 0.0166667h; | 98% |
| With dimethylbromosulphonium bromide; tetrabutylammonium nitrite In acetonitrile at 20℃; for 1h; regioselective reaction; | 96% |
Conditions
| Conditions | Yield |
|---|---|
| With acetic anhydride In tetrachloromethane; nitric acid | 98% |
Conditions
| Conditions | Yield |
|---|---|
| With nitro acetate; silica gel In chloroform at -20 - 20℃; Nitration; | A 93% B 6% |
| With copper(II) nitrate/zeolite H-Y for 0.0166667h; Product distribution; Further Variations:; heating mode; times; microwave irradiation; | A 88% B n/a |
| With tert.-butylnitrite In acetonitrile at 29.84℃; Kinetics; Solvent; Temperature; | A 85% B n/a |
Conditions
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In dichloromethane at -5 - 25℃; | 93% |
Conditions
| Conditions | Yield |
|---|---|
| With Yb-Mo-modified montmorillonite HKSF; nitric acid In tetrahydrofuran at 20℃; for 12h; | A 88% B 3% |
| With Montmorillonite KSF; nitric acid; hafnium oxychloride In tetrahydrofuran at 20℃; for 16h; | A 81% B 6% |
| With 3-(ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium bis(trifluoromethanesulfonyl)imide at 20℃; for 6h; Ionic liquid; | A 78% B 16% |
- 119-33-5
4-methyl-2-nitrophenol
Conditions
| Conditions | Yield |
|---|---|
| With GLUTATHIONE In aq. phosphate buffer; acetonitrile at 37℃; for 4h; pH=7.4; Kinetics; | 88% |
- 1151899-38-5
(E)-methyl 3-(4-fluorophenyl)-2-((4-methyl-2-nitrophenoxy)methyl)acrylate
- 119-33-5
4-methyl-2-nitrophenol
Conditions
| Conditions | Yield |
|---|---|
| With GLUTATHIONE In aq. phosphate buffer; acetonitrile at 37℃; for 4h; pH=7.4; Kinetics; | 84% |
Conditions
| Conditions | Yield |
|---|---|
| With water In tetrahydrofuran at 25℃; for 2.5h; Schlenk technique; | 82% |
- 1151899-28-3
(E)-methyl 3-(4-methoxyphenyl)-2-((4-methyl-2-nitrophenoxy)methyl)acrylate
- 119-33-5
4-methyl-2-nitrophenol
Conditions
| Conditions | Yield |
|---|---|
| With GLUTATHIONE In aq. phosphate buffer; acetonitrile at 37℃; for 4h; pH=7.4; Kinetics; | 79% |
- 119-33-5
4-methyl-2-nitrophenol
Conditions
| Conditions | Yield |
|---|---|
| With GLUTATHIONE In aq. phosphate buffer; acetonitrile at 37℃; for 4h; pH=7.4; Kinetics; | 79% |
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2-Nitro-p-cresol
Chemistry
2-NITRO-p-CRESOL's MF: C7H7NO3
2-NITRO-p-CRESOL's MW: 153.14
mp: 32-35 °C(lit.)
Fp: 227 °F
bp: 234 °C
EINECS: 204-315-6
density: 1.24 g/mL at 25 °C(lit.)
solubility: SLIGHTLY SOLUBLE
Water Solubility: SLIGHTLY SOLUBLE
Synonyms: 2-Nitro-4-cresol;2-nitro-p-creso;4-methyl-2-nitro-pheno;4-Metyl-2-mitrophenol;o-Nitro-p-methylphenol;p-Cresol, 2-nitro-;Phenol,4-methyl-2-nitro-;O-NITRO-P-CRESOL
2-NITRO-p-CRESOL's MW: 153.14
mp: 32-35 °C(lit.)
Fp: 227 °F
bp: 234 °C
EINECS: 204-315-6
density: 1.24 g/mL at 25 °C(lit.)
solubility: SLIGHTLY SOLUBLE
Water Solubility: SLIGHTLY SOLUBLE
Synonyms: 2-Nitro-4-cresol;2-nitro-p-creso;4-methyl-2-nitro-pheno;4-Metyl-2-mitrophenol;o-Nitro-p-methylphenol;p-Cresol, 2-nitro-;Phenol,4-methyl-2-nitro-;O-NITRO-P-CRESOL
Uses
2-NITRO-p-CRESOL is used as dye intermediates and producing dacron whitening agent intermediates.
Toxicity Data With Reference
| 1. | orl-rat LD50:3360 mg/kg | HURC** Huntingdon Research Center Reports .(Brooklandville, MD.: )1972. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. Potentially explosive reaction with sodium hydroxide + sodium carbonate + methanol. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-45-28A
RIDADR UN 2446 6.1/PG 3
WGK Germany 2
Hazard Note Irritant
HazardClass 6.1
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-45-28A
RIDADR UN 2446 6.1/PG 3
WGK Germany 2
Hazard Note Irritant
HazardClass 6.1