CAS No.104-86-9,4-Chlorobenzylamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	104-86-9
Name:	4-Chlorobenzylamine
Article Data:	136

Formula:	C₇H₈ClN
Molecular Weight:	141.6
Synonyms:	Benzylamine, p-chloro- (8CI);Benzenemethanamine, 4-chloro-;(4-chlorophenyl)methanamine;(4-chlorophenyl)methylazanium;Benzylamine, p-chloro-;p-Chlorobenzylamine;p-Chlorobenzyl amine;
EINECS:	203-245-3
Density:	1.16 g/cm³
Melting Point:	277-278 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling Point:	216.6 °C at 760 mmHg
Flash Point:	92.6 °C
Solubility:	Not miscible in water.
Appearance:	clear slightly yellow liquid
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38-34
Safety:	26-45-36/37/39
Transport Information:	UN 2735
PSA:	26.02000
LogP:	2.49900

Synthetic route

: 104-88-1
4-chlorobenzaldehyde

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen In ethanol at 130℃; under 7500.75 Torr; for 12h; Autoclave;	100%
With ammonia; hydrogen In methanol at 89.84℃; under 30003 Torr; for 3h;	98%
With [pentamethylcyclopentadienyl*Ir(N-phenyl-2-pyridinecarboxamidate)Cl]; ammonium formate In methanol at 37℃; for 15h; chemoselective reaction;	98%

: 623-03-0
4-Cyanochlorobenzene

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With [Ru(H)(BH4)(CO)(PPh3)(3-(di-tert-butylphosphino)-N-((1-methyl-1H-imidazol-2 yl)methyl)propylamine)]; hydrogen In isopropyl alcohol at 70℃; for 3h; Inert atmosphere; Autoclave;	99%
With ammonia; hydrogen In water; isopropyl alcohol at 80℃; under 15001.5 Torr; for 24h; Autoclave;	98%
With C19H34Cl2CoN2P; hydrogen; sodium ethanolate; sodium triethylborohydride In benzene at 135℃; under 22502.3 Torr; for 36h; Autoclave;	93%

: 3848-36-0
4-chlorobenzaldoxime

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With (pyridine)(tetrahydroborato)zinc In tetrahydrofuran for 2.8h; Heating;	96%
With sodium hydrogensulfate monohydrate; molybdenum(V) chloride; sodium cyanoborohydride In ethanol for 2.2h; Reflux;	96%
With sodium tetrahydroborate at 20℃; for 0.0333333h; neat (no solvent, solid phase);	95%

: 27032-10-6
4-chlorobenzyl azide

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With Amberlite IRA-400; borohydride form; copper(II) sulfate In methanol at 20℃; for 6h; Reduction;	94%
With ammonium chloride; zinc In ethanol; water
With hydrogen; palladium In tetrahydrofuran; N,N-dimethyl-formamide at 50℃; under 6080.41 Torr; for 22h; Inert atmosphere;
With formic acid; 2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 40h; Irradiation;	84 %Chromat.

: 623-03-0
4-Cyanochlorobenzene

A: 21913-13-3
N,N-bis(4-chlorobenzyl)amine

B: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In ethanol at 20℃; for 0.0833333h;	A 7% B 85%
With methanol; cobalt(II) chloride; diborane at -10℃; for 0.5h;	A 9.4% B 71.1%
With methanol; cobalt(II) chloride; diborane for 0.5h; Ambient temperature;	A 52% B 27%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With ammonium hydroxide; potassium dihydrogenphosphate In tert-butyl methyl ether at 20℃; for 0.5h; Reagent/catalyst; Solvent; Autoclave;	85%
With hexamethylenetetramine
With hydrogenchloride; potassium hydride; 1,1,3,3-tetramethyldisilazane 1.) THF, 1 h, 0 deg C; 1 h, r.t.; Yield given. Multistep reaction;
With ammonia at 25℃; Kinetics; Activation energy; Temperature;

: 873-32-5
2-Chlorobenzonitrile

A: 104-86-9
4-chlorobenzylamine

B: 100-46-9
benzylamine

Conditions

Conditions	Yield
With potassium hydroxide; samarium diiodide In tetrahydrofuran for 0.0666667h; Ambient temperature;	A 6% B 77%

: 873-76-7
para-Chlorobenzyl alcohol

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With ammonium hydroxide; C19H37IrN4(2+)*2I(1-) at 170℃; for 100h; Sealed tube;	77%
With ammonia In toluene at 110℃; under 5250.53 Torr; for 20h;	72%
Multi-step reaction with 2 steps 1: acetic acid; hydrogen bromide / 0.5 h / 0 °C 2: ammonia / ethanol; water / 4 h / 20 °C View Scheme

: 131523-32-5
2-(4-chloro-benzyl)-1H-isoindole-1,3(2H)-dione

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With hydrazine hydrate In 1,4-dioxane at 110℃; Gabriel Amine Synthesis; Inert atmosphere;	74%
With hydrazine hydrate In ethanol for 3h; Inert atmosphere; Reflux;	42%
With hydrazine hydrate In methanol for 1h; Heating;

: 619-56-7
4-chlorobenzamide

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With titanium tetrachloride; magnesium In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	72%
With sulfuric acid at 35 - 40℃; Electrolysis.an einer Bleikathode;
With 1,10-Phenanthroline; diethoxymethylane; iron(II) acetate In toluene at 100℃; for 28h; Inert atmosphere; chemoselective reaction;	60 %Chromat.

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Specification

The IUPAC name of this chemical is 4-Chlorobenzylamine. With the CAS registry number 104-86-9 and EINECS registry number 203-245-3, it is also named as Benzenemethanamine, 4-chloro-. In addition, the molecular formula is C₇H₈ClN and the molecular weight is 141.60. It is a kind of clear slightly yellow liquid and belongs to the classes of Anilines, Aromatic Amines and Nitro Compounds; C7; Nitrogen Compounds. What's more, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant, the fire, water source and heat source.

Physical properties about this chemical are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -0.04; (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): 3.67; (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: 92.6 °C; (20)Enthalpy of Vaporization: 45.3 kJ/mol; (21)Boiling Point: 216.6 °C at 760 mmHg; (22)Vapour Pressure: 0.139 mmHg at 25 °C.

Preparation of 4-Chlorobenzylamine: it can be prepared by p-Chlorobenzyl azide. This reaction will need reagent Amberlite IRA-400, borohydride form and CuSO₄*5H₂O and solvent methanol. The reaction time is 6 hours at reaction temperature of 20 °C. The yield is about 94 %.

4-Chlorobenzylamine can be prepared by p-chlorobenzyl azide

Uses of 4-Chlorobenzylamine: it can be used to get 4-Chloro-benzoic acid and 4-Chloro-benzonitrile. This reaction will need reagents tert-butylhydroperoxide and silica-supported selenamide, and solvent 2-methyl-propan-2-ol. The reaction time is 20 hours by heating. The yield is about 87 %.

4-Chlorobenzylamine can be used to get 4-chloro-benzoic acid and 4-chloro-benzonitrile

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it can cause burns. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CN
(2)InChI: InChI=1/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
(3)InChIKey: YMVFJGSXZNNUDW-UHFFFAOYAN