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CAS No.: | 2458-12-0 |
---|---|
Name: | 3-Amino-4-methylbenzoic acid |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | 3-amino-4-methyl-benzoate;3-Amino-p-toluic acid;4-Methyl-3-aminobenzoic acid; |
EINECS: | 219-543-1 |
Density: | 1.254 g/cm3 |
Melting Point: | 164-168 °C(lit.) |
Boiling Point: | 363 °C at 760 mmHg |
Flash Point: | 173.3 °C |
Solubility: | Very soluble in water. |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 63.32000 |
LogP: | 1.85660 |
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; |
5-cyano-2-methylaniline
3-amino-p-toluic acid
Conditions | Yield |
---|---|
With hydrogenchloride at 100℃; im Druckrohr; |
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 |
1-bromo-2-isopropyl-5-methyl-4-nitro-benzene
3-amino-p-toluic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: nitric acid 2: sodium amalgam View Scheme |
acetic acid-(5-chloroacetyl-2-methyl-anilide)
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 |
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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
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 , its CAS NO. is 2458-12-0, the synonym is 3-Amino-p-toluic acid .