- 3-Amino-4-methylbenzoic acid
- 3-Amino-4-methylbenzoic acid ethyl ester
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Cas Database |
| Name |
3-Amino-4-methylbenzoic acid |
EINECS | 219-543-1 |
| CAS No. | 2458-12-0 | Density | 1.254 g/cm3 |
| PSA | 63.32000 | LogP | 1.85660 |
| Solubility | Very soluble in water. | Melting Point |
164-168 °C(lit.) |
| Formula | C8H9NO2 | Boiling Point | 363 °C at 760 mmHg |
| Molecular Weight | 151.165 | Flash Point | 173.3 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 26-36-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-amino-4-methyl-benzoate;3-Amino-p-toluic acid;4-Methyl-3-aminobenzoic acid; |
Article Data | 13 |
3-Amino-4-methylbenzoic acid Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogen; palladium In methanol for 5h; | 48% |
| With hydrogenchloride; tin | |
| With hydrogenchloride; tin(ll) chloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 110℃; im Rohr; |
- 60710-80-7
5-cyano-2-methylaniline
- 2458-12-0
3-amino-p-toluic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 100℃; im Druckrohr; |
- 2458-12-0
3-amino-p-toluic acid
| Conditions | Yield |
|---|---|
| With sodium amalgam |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: nitric acid / 12 - 15 °C 2: nitric acid 3: sodium amalgam View Scheme |
- 859816-42-5
1-bromo-2-isopropyl-5-methyl-4-nitro-benzene
- 2458-12-0
3-amino-p-toluic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: nitric acid 2: sodium amalgam View Scheme |
- 861525-09-9
acetic acid-(5-chloroacetyl-2-methyl-anilide)
- 2458-12-0
3-amino-p-toluic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogen peroxide; alkali 2: hydrochloric acid / 110 °C / im Rohr View Scheme |
3-Amino-4-methylbenzoic acid Chemical Properties
Product Name: 3-Amino-4-methylbenzoic acid (CAS NO.2458-12-0)
Molecular Formula: C8H9NO2
Molecular Weight: 151.16g/mol
Mol File: 2458-12-0.mol
EINECS: 219-543-1
Melting Point: 164-168 °C(lit.)
Boiling point: 363 °C at 760 mmHg
Flash Point: 173.3 °C
Density: 1.254 g/cm3
Index of Refraction: 1.618
Molar Refractivity: 42.24 cm3
Molar Volume: 120.5 cm3
Surface Tension: 58.2 dyne/cm
Enthalpy of Vaporization: 64.25 kJ/mol
Vapour Pressure: 6.64E-06 mmHg at 25°C
XLogP3-AA: 0.3
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of 3-Amino-4-methylbenzoic acid (CAS NO.2458-12-0):
IUPAC Name: 3-amino-4-methylbenzoic acid
Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)N
InChI: InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey: XKFIFYROMAAUDL-UHFFFAOYSA-N
Product Categories: CARBOXYLICACID; Chemical intermediate for Nilotinib; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids
3-Amino-4-methylbenzoic acid Safety Profile
Safety Information about 3-Amino-4-methylbenzoic acid (CAS NO.2458-12-0):
Hazard Codes Xi 
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
FIRST AID MEASURES
Eyes:Flush eyes with plenty of water for at least 15 minutes,occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:If victim is conscious and alert, give 2-4 cupfuls of milk or water.Never give anything by mouth to an unconscious person. Get medical aid.
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.
3-Amino-4-methylbenzoic acid Specification
3-Amino-4-methylbenzoic acid , its CAS NO. is 2458-12-0, the synonym is 3-Amino-p-toluic acid .
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