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Cas Database |
| Name |
2-Methyl-3-nitrophenol |
EINECS | 226-739-0 |
| CAS No. | 5460-31-1 | Density | 1.32 g/cm3 |
| PSA | 66.05000 | LogP | 2.13200 |
| Solubility | N/A | Melting Point |
146-148 °C(lit.) |
| Formula | C7H7NO3 | Boiling Point | 269.5 °C at 760 mmHg |
| Molecular Weight | 153.137 | Flash Point | 121.8 °C |
| Transport Information | UN 2446 6.1/PG 3 | Appearance | yellow to brown crystalline powder |
| Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
2-methyl-3-nitro-phenol;phenol, 2-methyl-3-nitro-;3-Nitro-o-cresol;2-hydroxy-6-nitro toluene;6-Hydroxy-2-nitrotoluene; |
Article Data | 12 |
2-Methyl-3-nitrophenol Synthetic route
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium nitrite In water | 83% |
| Stage #1: 3-nitro-o-tolylamine With sulfuric acid; sodium nitrite In water at 0℃; Stage #2: With sulfuric acid; water Reflux; | 67% |
| Diazotization; | |
| With sulfuric acid; water; sodium nitrite Diazotization; | |
| (i) NaNO2, aq. H2SO4, (ii) CuSO4; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane at -5 - 20℃; for 12h; Inert atmosphere; | 69.7% |
- 95-48-7
ortho-cresol
A
- 5460-31-1
3-nitro-o-cresol
B
- 612-84-0
2,2'-dimethyl-4,4'-biphenol
C
- 112036-07-4
4,4'-dihydroxy-3,3'-dimethyl-5,5'-dinitrobiphenyl
D
- 112036-06-3
4,4'-dihydroxy-3,3'-dimethyl-6-nitrobiphenyl
| Conditions | Yield |
|---|---|
| With ammonium cerium(IV) nitrate In acetic acid for 16h; Ambient temperature; | A 20% B 20% C 35% D 20% |
| With ammonium cerium(IV) nitrate In acetic acid for 16h; Ambient temperature; | A 20% B 20% C 35% D 20% |
| With ammonium cerium(IV) nitrate In water for 1h; Ambient temperature; | A 16% B 12% C 28% D 16% |
| With ammonium cerium(IV) nitrate Ambient temperature; water or acetic acid; | A 16% B 12% C 28% D 16% |
| With ammonium cerium(IV) nitrate; acetic acid Ambient temperature; water or acetic acid; | A 16% B 12% C 28% D 16% |
- 861609-40-7
2-methoxy-3-methyl-4-nitro-aniline
A
- 5460-31-1
3-nitro-o-cresol
B
- 4837-88-1
6-methoxy-2-nitrotoluene
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium nitrite Diazotization; | |
| beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung; |
| Conditions | Yield |
|---|---|
| Verkochen.Diazotization; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: alcohol; hydrogen sulfide; ammoniacal 2: concentrated sulfuric acid; water; sodium nitrite / Diazotization View Scheme |
- 18102-30-2
2-methoxy-3-methylaniline
- 5460-31-1
3-nitro-o-cresol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 2: nitric acid 3: concentrated hydrochloric acid 4: beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung View Scheme |
- 143359-98-2
acetic acid-(2-methoxy-3-methyl-anilide)
- 5460-31-1
3-nitro-o-cresol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: nitric acid 2: concentrated hydrochloric acid 3: beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung View Scheme |
- 861548-37-0
acetic acid-(2-methoxy-3-methyl-4-nitro-anilide)
- 5460-31-1
3-nitro-o-cresol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: concentrated hydrochloric acid 2: beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: [(2-di-cyclohexylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1‘-biphenyl)-2-(2‘-amino-1,1’-biphenyl)]palladium(II) methanesulfonate; caesium carbonate / toluene / 16 h / 70 °C / Inert atmosphere 2: boron tribromide / dichloromethane / 12 h / -5 - 20 °C / Inert atmosphere View Scheme |
2-Methyl-3-nitrophenol Chemical Properties
Molecular Structure:
.png)
IUPAC Name:2-methyl-3-nitrophenol
Molecular Formula:C7H7NO3
Molecular Weight:153.135380 g/mol
Appearance:yellow to orange to brown crystalline powder
Melting Point:146-148 °C
Density:1.32 g/cm3
Flash Point:121.8 °C
Enthalpy of Vaporization:52.8 kJ/mol
Boiling Point:269.5 °C at 760 mmHg
Vapour Pressure:0.00437 mmHg at 25 °C
Water Solubility:2235 mg/L at 25 °C
BRN:1946057
EINECS:226-739-0
Synonyms of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1): EINECS 226-739-0 ; 3-Nitro-o-cresol
Categories: Multisubstituted Benzene ; Alcohols and Derivatives ; Aromatic Phenols ; Phenol&Thiophenol&Mercaptan
2-Methyl-3-nitrophenol Uses
2-Methyl-3-nitrophenol (CAS NO.5460-31-1) is used in organic synthesis, medicine and dye synthesis.
2-Methyl-3-nitrophenol Safety Profile
Safety Information of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1):
Hazard Codes:Xn,Xi 
Risk Statements:20/21/22-36/37/38
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36/37-36/37/39-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37:Wear suitable protective clothing and gloves
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
36:Wear suitable protective clothing
RIDADR:UN 2446 6.1/PG 3
WGK Germany:3
F:10
Hazard Note:Harmful
HazardClass:6.1
PackingGroup:III
2-Methyl-3-nitrophenol Specification
First Aid Measures of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1):
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Storage of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1):
Store in a cool, dry place. Store in a tightly closed container.
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