3,4-Dimethylbenzyl chloride
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3,4-Dimethylbenzyl chloride
structure -
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CAS No:
102-46-5
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Formula:
C9H11Cl
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Chemical Name:
3,4-Dimethylbenzyl chloride
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Synonyms:
Benzene,4-(chloromethyl)-1,2-dimethyl-;4-(Chloromethyl)-1,2-dimethylbenzene;3,4-Dimethylbenzyl chloride;1,2-Dimethyl-4-chloromethylbenzene;NSC 62669;4-(Chloromethyl)-o-xylene;1-(Chloromethyl)-3,4-dimethylbenzene
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CAS No:
Characteristics
0
3
Clear colorless to pale yellow Liquid
1.0±0.1 g/cm3
-62ºC
116-117 °C @ Press: 24 Torr
205 °F
1.522
Store below 10ºC. Keep containers closed when not in use.
0.136mmHg at 25°C
Safety Information
III
8
UN 3265 8/PG 2
3
34-36/37
26-36/37/39-45
C,Xi
Irritant
P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, P501
H314
|Danger|H314 (97.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-Dimethylbenzyl chloride Use and Manufacturing
General procedure: All the three-necked flasks were loaded with aromatic hydrocarbon (16.4 mmol), paraformaldehyde (36.3 mmol), 16 mL of concentrated hydrochloric acid and IL (4.92 mmol). The reaction mixture was stirred at 70°C for an appropriate time. After the reaction, the mixture was filtered and extracted with methylene chloride (3 × 20 mL). The organic phase were combined and rinsed with saturated NaHCO3 solution (2 × 20 mL) and water (2 × 20 mL).The organic phase was dried with sodium sulfate, filtered and evaporated to dryness in vacuo, and the organic residue was resolved in mehtylene chloride again, and analyzed by HPLC. Each product was separated by silica gel column chromatography, and identified by 1H NMR. Residual aqueous catalytic solution was evaporated in vacuo to a colorless liquid in 95percent yield. The next run was performed under identical reaction conditions.
Benzene, 4-(chloromethyl)-1,2-dimethyl-: INACTIVE
Computed Properties
Molecular Weight:154.63
XLogP3:3
Rotatable Bond Count:1
Exact Mass:154.0549280
Monoisotopic Mass:154.0549280
Heavy Atom Count:10
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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