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2-Chlorobenzylamine

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Name

2-Chlorobenzylamine

EINECS 201-955-8
CAS No. 89-97-4 Density 1.166 g/cm3
PSA 26.02000 LogP 2.49900
Solubility N/A Melting Point 227-228 °C(Solv: N,N-dimethylformamide (68-12-2))
Formula C7H8ClN Boiling Point 227.5 °C at 760 mmHg
Molecular Weight 141.6 Flash Point 88.9 °C
Transport Information UN 2735 8/PG 2 Appearance Colorless to light yellow liquid
Safety 26-36/37/39-45-36 Risk Codes 36/37/38-34-37
Molecular Structure Molecular Structure of 89-97-4 (2-Chlorobenzylamine) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

2-Chlorobenzenemethanamine;1-Aminomethyl-2-chlorobenzene;

Article Data 54

2-Chlorobenzylamine Synthetic route

873-32-5

2-Chlorobenzonitrile

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
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
ConditionsYield
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
611-19-8

1-chloro-2-(chloromethyl)benzene

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
85.6%
With hexamethylenetetramine
With ammonium hydroxide
873-32-5

2-Chlorobenzonitrile

A

65130-79-2

bis(2-chlorobenzyl)amine

B

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
With sodium tetrahydroborate; nickel dichloride In ethanol at 20℃; for 0.0833333h;A 7%
B 82%
With nickel; decalin Hydrogenation;

1-(2-chlorobenzyl)-3,4-diphenyl-1H-pyrrole-2,5-dione

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
With water; sodium carbonate In acetonitrile at 80℃; for 10h;81%
89-98-5

2-chloro-benzaldehyde

611-19-8

1-chloro-2-(chloromethyl)benzene

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
With hydrogenchloride; ammonium hydroxide; sodium hydroxide In water; chlorobenzene80%
3717-28-0

2-chloro benzaldehyde oxime

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
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%
611-19-8

1-chloro-2-(chloromethyl)benzene

108-90-7

chlorobenzene

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
With hydrogenchloride; ammonium hydroxide; sodium hydroxide; benzaldehyde62.8%
873-32-5

2-Chlorobenzonitrile

A

100-46-9

benzylamine

B

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
With samarium diiodide; water In tetrahydrofuran for 0.0166667h; Ambient temperature;A 37%
B 62%
609-66-5

2-chlorobenzamide

89-97-4

2-CHLOROBENZYLAMINE

Conditions
ConditionsYield
With sodium tetrahydroborate; lithium chloride In diethylene glycol dimethyl ether at 162℃; for 4h;55%
With lithium aluminium tetrahydride; diethyl ether

2-Chlorobenzylamine 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%.

2-Chlorobenzylamine can react with 2-methylsulfanyl-4,5-dihydro-thiazole to produce (2-chloro-benzyl)-(4,5-dihydro-thiazol-2-yl)-amine

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

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