| Identification | More | [Name]
3-Chlorobenzylamine | [CAS]
4152-90-3 | [Synonyms]
3-CHLOROBENZYLAMINE
M-CHLOROBENZYL AMINE
RARECHEM AL BW 0019
TIMTEC-BB SBB004155
(3-Chlorophenyl)methanamine
3-chloro-benzenemethanamin
Benzenemethanamine,3-chloro-
3-Chlorobenzylamine, 97+%
3-Chlorobenzylamine,98%
3-Chlorobenzylamine 97%
3-chloro-benzenemethanamine
3-Chloro-1-(aminomethyl)benzene
m-Chlorobenzenemethanamine | [EINECS(EC#)]
223-985-0 | [Molecular Formula]
C7H8ClN | [MDL Number]
MFCD00040752 | [Molecular Weight]
141.6 | [MOL File]
4152-90-3.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to faint yellow liquid | [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.)
| [Fp ]
209 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Liquid | [pka]
8.77±0.10(Predicted) | [color ]
Clear colorless to faint yellow | [Specific Gravity]
1.159 | [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) | [Storage Precautions]
Store under nitrogen;Air sensitive | [EPA Substance Registry System]
4152-90-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 2735 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29214990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B |
| Hazard Information | Back Directory | [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]
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 |
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