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| CAS No.: | 34897-84-2 |
|---|---|
| Name: | 2-AMINO-5-METHYLBENZYL ALCOHOL |
| Molecular Structure: | |
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|
|
| Formula: | C8H11NO |
| Molecular Weight: | 137.181 |
| Synonyms: | (2-Amino-5-methylphenyl)methanol;2-(Hydroxymethyl)-4-methylaniline;2-Amino-5-methylbenzyl alcohol;5-Methyl-2-aminobenzyl alcohol; |
| Density: | 1.126 g/cm3 |
| Melting Point: |
123-126 °C(lit.) |
| Boiling Point: | 293.2 °C at 760 mmHg |
| Flash Point: | 131.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 46.25000 |
| LogP: | 1.65070 |
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Specification
The Benzenemethanol, 2-amino-5-methyl-, with the CAS registry number 34897-84-2, is also known as 2-Amino-5-methylbenzyl alcohol. It belongs to the product categories of Amino Alcohols; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C8H11NO and molecular weight is 137.18. What's more, its systematic name is (2-Amino-5-methylphenyl)methanol.
Physical properties about Benzenemethanol, 2-amino-5-methyl- are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.9; (8)ACD/KOC (pH 7.4): 31.05; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 41.76 cm3; (15)Molar Volume: 121.8 cm3; (16)Polarizability: 16.55×10-24 cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 131.1 °C; (20)Enthalpy of Vaporization: 56.26 kJ/mol; (21)Boiling Point: 293.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000799 mmHg at 25 °C.
Uses of Benzenemethanol, 2-amino-5-methyl-: it is used to produce other chemicals. For example, it is used to produce 2, 2, 2-Trifluoro-N-(2-hydroxymethyl-4-methyl-phenyl)-acetamide. The reaction needs reagent Et3N and solvent Diethyl ether. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 86 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc(ccc1N)C
(2) InChI: InChI=1/C8H11NO/c1-6-2-3-8(9)7(4-6)5-10/h2-4,10H,5,9H2,1H3
(3) InChIKey: STWNJQOCTNSGLJ-UHFFFAOYAA