4-Chloro-N-methylbenzenemethanamine
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4-Chloro-N-methylbenzenemethanamine
structure -
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CAS No:
104-11-0
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Formula:
C8H10ClN
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Chemical Name:
4-Chloro-N-methylbenzenemethanamine
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Synonyms:
Benzenemethanamine,4-chloro-N-methyl-;Benzylamine,p-chloro-N-methyl-;4-Chloro-N-methylbenzenemethanamine;p-Chloro-N-methylbenzylamine;4-Chloro-N-methylbenzylamine;N-Methyl-p-chlorobenzylamine;N-(p-Chlorobenzyl)-N-methylamine;(4-Chlorobenzyl)methylamine;N-Methyl-4-chlorobenzylamine;NSC 39968;N-Methyl-N-(4-chlorobenzyl)amine;N-(4-Chlorobenzyl)-N-methylamine;4-Chlorobenzyl-N-methylamine;1-(4-Chlorophenyl)-N-methylmethanamine;[(4-Chlorophenyl)methyl](methyl)amine
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CAS No:
4-Chloro-N-methylbenzenemethanamine Basic Attributes
155.62
155.62
203-175-3
DTXSID0059291
2921499090
Characteristics
12
2.2
1.088±0.06 g/cm3(Predicted)
120-123 °C @ Press: 15 Torr
106.1±0.0 °C
1.5380 to 1.5420
Safety Information
Ⅲ
IRRITANT
2735
22-34-52-41-37/38
23-26-36/37/39-45-39
Xi,C,Xn
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P363, P403+P233, P405, P501
H302
|Danger|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chloro-N-methylbenzenemethanamine Use and Manufacturing
(4-Chlorobenzyl)methyIamine (30)To a stirred solution of 4-chlorobenzylchloride (3.00 g, 18.63 mmol) in THF (300 ml) under NTo a stirred solution of 4-chlorobenzylchloride (18, 3.00 g, 18.63 mmol) in THF (300 mL) under N(4-Chlorobenzyl)methyIamine (30)To a stirred solution of 4-chlorobenzylchloride (3.00 g, 18.63 mmol) in THF (300 ml) under N2 at 0 0C, was added methylamine solution in water (40% v/v) (9.03 mi, 93.48 mmol) and the reaction allowed to progress at room temperature overnight. The solvent was removed by rotary evaporation with water removed by azeotroping with toluene. The crude product was purified directly by column chromatography using EtOAc (100%) followed by EtOAc: MeOH: NEt3 (92: 5: 3) as eluent to give 30 as a yellow oil (2.49 g, 81%); 1H NMR (CDCi3, 300 MHz) delta 7.25 - 7.18 (4H, m), 3.66 (2H, s), 2.38 (3H, s), 1.65 ( 1H, s); 13C NMR (CDCI3, 100 MHz) delta 138.6 (IV), 132.6 (IV), 129.5 (2C), 128.4 (2C), 55.2, 35.8; HRMS (ESI): Found 156.0580 (M+). C8H10NCI (M+) requires 156.0556.To a stirred solution of 4-chlorobenzylchloride (18, 3.00 g, 18.63 mmol) in THF (300 mL) under N2 at 0 C, was added methylamine solution in water (40% v/v) (9.03 mL, 93.48 mmol) and the reaction allowed to progress at room temperature overnight. The solvent was removed by rotary evaporation with water removed by azeotroping with toluene. The crude product was purified directly by column chromatography using EtOAc (100%) followed by EtOAc:MeOH:NEt3 (92:5:3) as eluent to give 22 as a yellow oil (2.49 g, 81%); 1H NMR (CDCl3, 300 MHz) delta 7.25-7.18 (4H, m, ArH), 3.66 (2H, s, CH2), 2.38 (3H, s, CH3), 1.65 (1H, s, NH); 13C NMR (CDCl3, 100 MHz) delta 138.6 (Arqu), 132.6 (Arqu), 129.5 (2 × ArC-H), 128.4 (2 × ArC-H), 55.2 (CH2), 35.8 (CH3). HRMS (ES): Found 156.0556 (M + H)+: C8H11NCl (M + H)+ requires 156.0575.The
Benzenemethanamine, 4-chloro-N-methyl-: INACTIVE
Computed Properties
Molecular Weight:155.62
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:155.0501770
Monoisotopic Mass:155.0501770
Topological Polar Surface Area:12
Heavy Atom Count:10
Complexity:87.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Chloro-N-methylbenzenemethanamine
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CN
4 YRS
Business licensed Certified factoryManufactory Supplier of N-Diethyl-m-toluamide,6-Methyluracil,Anisole,4-Dimethoxybenzoic acid,CS (lacrimator),Daucosterol,N,N-Formylmorpholine,Epichlorohydrin,Tetramethylguanidine,Dimethicone,3 -
CN
3 YRS
Business licensedTrader Supplier of N,N'-Dimethylethylenediamine -
CN
2 YRS
Business licensedTrader Supplier of API,Antibiotics,Anti cancer categoryInquiryUnit Price: $10 /KG EXWCAS No.: 104-11-0Grade: Industrial GradeContent: 98%
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4-Chloro-N-methylbenzenemethanamine
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