| Identification | More | [Name]
4-Chlorobenzylamine | [CAS]
104-86-9 | [Synonyms]
4-CHLOROBENZYLAMINE
LABOTEST-BB LTBB000701
P-CHLOROBENZYLAMINE
RARECHEM AL BW 0027
TIMTEC-BB SBB004154
(4-Chlorophenyl)methanamine
4-chloro-benzenemethanamin
Benzylamine, p-chloro-
4-Chlorbenzylamine
Chlorobenzylamine,97%
Benzenemethanamine, 4-chloro-
4-Chlorobenzylamine, 97+%
4-CHLOROBENZYLAMINE,98 % | [EINECS(EC#)]
203-245-3 | [Molecular Formula]
C7H8ClN | [MDL Number]
MFCD00008121 | [Molecular Weight]
141.6 | [MOL File]
104-86-9.mol |
| Chemical Properties | Back Directory | [Appearance]
clear slightly yellow liquid | [Melting point ]
277-278 °C(Solv: N,N-dimethylformamide (68-12-2)) | [Boiling point ]
215 °C (lit.) | [density ]
1.164 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.558(lit.)
| [Fp ]
195 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid | [pka]
8.85±0.10(Predicted) | [color ]
Clear slightly yellow | [Water Solubility ]
Not miscible in water. | [Sensitive ]
Air Sensitive | [BRN ]
507949 | [CAS DataBase Reference]
104-86-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenemethanamine, 4-chloro-(104-86-9) | [Storage Precautions]
Air sensitive;Store under nitrogen | [EPA Substance Registry System]
104-86-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
2735 | [WGK Germany ]
3
| [F ]
9-23 | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29214990 |
| Hazard Information | Back Directory | [Chemical Properties]
clear slightly yellow liquid | [Uses]
4-Chlorobenzylamine is used as pharmaceutical intermediate. | [Synthesis]
General procedure for the synthesis of p-chlorobenzylamine from p-chlorobenzonitrile: Ruthenium(II) complex (1 M) and 2-butanol (5 mL) were added to a 25 mL flask under argon protection and stirred for 5 min at room temperature. Subsequently, KOtBu (0.05 mM) was added and stirring was continued for 5 minutes. Next, p-chlorobenzonitrile (0.5 mM) was added and the reaction mixture was heated on a hot plate at 120°C for 30 minutes. Upon completion of the reaction, the catalyst was separated from the reaction mixture by the addition of petroleum ether, followed by filtration. The filtrate was neutralized with 1 M HCl. The ether layer was purified by short path silica gel column chromatography. Hexadecane was added to the purified filtrate as an internal standard and the yield of the product p-chlorobenzylamine was determined by gas chromatography (GC). | [References]
[1] Chemistry - A European Journal, 2016, vol. 22, # 14, p. 4991 - 5002
[2] Journal of the American Chemical Society, 2015, vol. 137, # 28, p. 8888 - 8891
[3] Journal of Coordination Chemistry, 2015, vol. 68, # 2, p. 321 - 334
[4] Synlett, 2001, # 10, p. 1623 - 1625
[5] Catalysis Letters, 2016, vol. 146, # 10, p. 2149 - 2156 |
|
|