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| CAS No.: | 89-97-4 |
|---|---|
| Name: | 2-Chlorobenzylamine |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8ClN |
| Molecular Weight: | 141.6 |
| Synonyms: | 2-Chlorobenzenemethanamine;1-Aminomethyl-2-chlorobenzene; |
| EINECS: | 201-955-8 |
| Density: | 1.166 g/cm3 |
| Melting Point: | 227-228 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Boiling Point: | 227.5 °C at 760 mmHg |
| Flash Point: | 88.9 °C |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 36/37/38-34-37 |
| Safety: | 26-36/37/39-45-36 |
| Transport Information: | UN 2735 8/PG 2 |
| PSA: | 26.02000 |
| LogP: | 2.49900 |
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| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In water at 95℃; for 1h; chemoselective reaction; | 95% |
| With [Ru(H)(BH4)(CO)(PPh3)(3-(di-tert-butylphosphino)-N-((1-methyl-1H-imidazol-2 yl)methyl)propylamine)]; hydrogen In isopropyl alcohol at 130℃; for 3h; Inert atmosphere; Autoclave; | 92% |
| With ammonium hydroxide; hydrogen In water; isopropyl alcohol at 60 - 80℃; under 7500.75 Torr; | 90% |
- 63777-70-8
2-chlorobenzylazide
- 89-97-4
2-CHLOROBENZYLAMINE
| Conditions | Yield |
|---|---|
| With hydrogen; palladium In methanol for 24h; | 91% |
| With hydrogen; palladium In methanol at 20℃; for 24h; | 91% |
| With ammonium chloride; zinc In ethanol; water |
| Conditions | Yield |
|---|---|
| 85.6% | |
| With hexamethylenetetramine | |
| With ammonium hydroxide |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel dichloride In ethanol at 20℃; for 0.0833333h; | A 7% B 82% |
| With nickel; decalin Hydrogenation; |
- 89-97-4
2-CHLOROBENZYLAMINE
| Conditions | Yield |
|---|---|
| With water; sodium carbonate In acetonitrile at 80℃; for 10h; | 81% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ammonium hydroxide; sodium hydroxide In water; chlorobenzene | 80% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; zinc In ethanol; water at 0 - 90℃; for 1h; | 78% |
| Stage #1: 2-chloro benzaldehyde oxime With hydrogenchloride In ethanol; water at 20℃; for 0.25h; Stage #2: With zinc In ethanol; water for 1h; Reflux; Stage #3: | 72% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ammonium hydroxide; sodium hydroxide; benzaldehyde | 62.8% |
| Conditions | Yield |
|---|---|
| With samarium diiodide; water In tetrahydrofuran for 0.0166667h; Ambient temperature; | A 37% B 62% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; lithium chloride In diethylene glycol dimethyl ether at 162℃; for 4h; | 55% |
| With lithium aluminium tetrahydride; diethyl ether |
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Specification
The 2-Chlorobenzylamine, with the CAS registry number 89-97-4 and EINECS registry number 203-245-3, has the systematic name of 1-(2-chlorophenyl)methanamine. And the molecular formula of this chemical is C7H8ClN. It is a kind of colorless to light yellow liquid which is sensitive to air, and belongs to the following product categories: Anilines, Aromatic Amines and Nitro Compounds; Amine; Amines; C7; Nitrogen Compounds. What's more, it is used as medicine intermediate.
The physical properties of 2-Chlorobenzylamine are as following: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.26; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.21; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 39.59 cm3; (15)Molar Volume: 121.3 cm3; (16)Polarizability: 15.69×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 88.9 °C; (20)Enthalpy of Vaporization: 46.41 kJ/mol; (21)Boiling Point: 227.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0772 mmHg at 25°C.
Uses of 2-Chlorobenzylamine: It can react with 2-methylsulfanyl-4,5-dihydro-thiazole to produce (2-chloro-benzyl)-(4,5-dihydro-thiazol-2-yl)-amine. This reaction will need solvent pentan-1-ol. The reaction time is 4.5 hours with heating, and the yield is about 35%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1CN
(2)InChI: InChI=1/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)
(3)InChIKey: KDDNKZCVYQDGKE-UHFFFAOYAB