3-Chlorobenzylamine

Product Name3-Chlorobenzylamine
CAS4152-90-3
MFC7H8ClN
MW141.6
EINECS223-985-0
MOL File4152-90-3.mol

Chemical Properties

Melting point	97-98 °C
Boiling point	110-112 °C/17 mmHg (lit.)
Density	1.159 g/mL at 25 °C (lit.)
refractive index	n20/D 1.559(lit.)
Flash point	209 °F
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
pka	8.77±0.10(Predicted)
form	Liquid
Specific Gravity	1.159
color	Clear colorless to faint yellow
Sensitive	Air Sensitive
BRN	774509
InChI	1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey	BJFPYGGTDAYECS-UHFFFAOYSA-N
SMILES	NCc1cccc(Cl)c1
CAS DataBase Reference	4152-90-3(CAS DataBase Reference)
NIST Chemistry Reference	Benzenemethanamine, 3-chloro-(4152-90-3)
EPA Substance Registry System	Benzenemethanamine, 3-chloro- (4152-90-3)

Safety Information

Hazard Codes	C,Xi
Risk Statements	34-20/21/22-36/37/38
Safety Statements	26-36/37/39-45-36
RIDADR	UN 2735 8/PG 2
WGK Germany	3
Hazard Note	Corrosive
TSCA	TSCA listed
HazardClass	8
PackingGroup	III
HS Code	29214990
Storage Class	8A - Combustible corrosive hazardous materials
Hazard Classifications	Eye Dam. 1 Skin Corr. 1B

MSDS

Provider	Language
3-Chlorobenzylamine	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

Chemical Properties

clear colorless to faint yellow liquid

Uses

3-Chlorobenzylamine is used as pharmaceutical, pesticide and dye intermediates. It is used in the synthesis of 3-Chlorobenzamide and N-(3-Chlorobenzyl)-4-(2-indolyl)-2-pyrimidinamine.

General Description

3-Chlorobenzylamine undergoes reductive amination during dihydroquinolone synthesis. It is used in the synthesis of N- (3-chlorobenzyl) toluene-p-sulphonamide.

Synthesis

766-84-7

4152-90-3

The general procedure for the synthesis of 3-chlorobenzylamine from 3-chlorobenzonitrile was as follows: in a 25 mL round-bottomed flask, CuNP/WS catalyst was added to a mixed solution containing 5 mL of double-distilled water and 1 mmol of 3-chlorobenzonitrile. Subsequently, 4 mmol NaBH4 was added to the reaction mixture in 4 portions and stirred at room temperature for an appropriate time. The reaction process was monitored by thin layer chromatography (TLC) using ethyl acetate/hexane (1:5) as eluent. After completion of the reaction, the reaction mixture was filtered and the catalyst was rinsed twice with dichloromethane. The organic phase was washed with distilled water, dried over anhydrous MgSO4 and finally the solvent was evaporated under vacuum to give the target product 3-chlorobenzylamine.

References

[1] Journal of Organic Chemistry, 2012, vol. 77, # 1, p. 221 - 228
[2] ChemSusChem, 2017, vol. 10, # 5, p. 842 - 846
[3] Journal of the American Chemical Society, 2017, vol. 139, # 38, p. 13554 - 13561
[4] Journal of Medicinal Chemistry, 2017, vol. 60, # 19, p. 7965 - 7983
[5] Inorganic and Nano-Metal Chemistry, 2018, vol. 48, # 3, p. 176 - 181

3-Chlorobenzylamine

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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