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| CAS No.: | 6299-02-1 |
|---|---|
| Name: | 4-Chloro-alpha-methylbenzylamine |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H10ClN |
| Molecular Weight: | 155.627 |
| Synonyms: | Benzylamine,p-chloro-alpha-methyl- (7CI,8CI);1-(4-Chlorophenyl)ethanamine;1-(4-Chlorophenyl)ethylamine;1-(p-Chlorophenyl)ethylamine;4-Chloro-alpha-methylbenzenemethanamine;4-Chloro-alpha-methylbenzylamine;NSC 42452;p-Chloro-a-methylbenzylamine;alpha-(p-Chlorophenyl)ethylamine;alpha-Methyl-4-chlorobenzenemethanamine; |
| EINECS: | 228-576-0 |
| Density: | 1.122 g/cm3 |
| Melting Point: | 140-141 °C |
| Boiling Point: | 225.9 °C at 760 mmHg |
| Flash Point: | 100.9 °C |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2735 |
| PSA: | 26.02000 |
| LogP: | 3.06000 |
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Specification
The IUPAC name of 4-Chloro-alpha-methylbenzylamine is 1-(4-chlorophenyl)ethanamine. With the CAS registry number 6299-02-1, it is also named as Benzenemethanamine,4-chloro-alpha-methyl-. The product's categories are Anilines, Amides & Amines; Chlorine Compounds; Amines; C8; Nitrogen Compounds. Besides, it is clear yellow liquid, which should be stored in closed containers in a cool, dry warehouse away from the corrosion area. In addition, its molecular formula is C8H10ClN and molecular weight is 155.62.
The other characteristics of this product can be summarized as: (1)EINECS: 228-576-0; (2)ACD/LogP: 2.03; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.02; (5)ACD/LogD (pH 7.4): -0.02; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 2.69; (10)#H bond acceptors: 1; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 44.23 cm3; (15)Molar Volume: 138.6 cm3; (16)Surface Tension: 39.4 dyne/cm; (17)Density: 1.122 g/cm3; (18)Flash Point: 100.9 °C; (19)Enthalpy of Vaporization: 46.25 kJ/mol; (20)Boiling Point: 225.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0842 mmHg at 25 °C.
Uses of 4-Chloro-alpha-methylbenzylamine: it can react with 2-Chloro-4-(2-ethoxyanilino)-6-(isonicotinylhydrazino)-s-triazine to get 2-(dl-alpha-p-Chlorophenethylamino)-4-(2-ethoxyanilino)-6-(isonicotinylhydrazino)-s-triazine.
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This reaction needs Dioxane by heating for 1.5 hours. The yield is 89.2 %.
When you are using this chemical, please be cautious about it as the following: it may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccc(cc1)C(N)C
(2)InChI: InChI=1/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
(3)InChIKey: PINPOEWMCLFRRB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
(5)Std. InChIKey: PINPOEWMCLFRRB-UHFFFAOYSA-N