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4-Methylbenzyl chloride

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CAS:104-82-5
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CAS:104-82-5
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CAS:104-82-5
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Products Intro: Product Name:4-Methylbenzyl chloride
CAS:104-82-5
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4-Methylbenzyl chloride Basic information
Product Name:4-Methylbenzyl chloride
Synonyms:MBC;METHYLBENZYLCHLORIDE(4-);4-METHYLBENZYL CHLORIDE;A-CHLORO-P-XYLENE;ALPHA-CHLORO-4-XYLENE;ALPHA-CHLORO-P-XYLENE;AKOS BBS-00003956;P-XYLYL CHLORIDE
CAS:104-82-5
MF:C8H9Cl
MW:140.61
EINECS:203-241-1
Product Categories:Aromatic Halides (substituted)
Mol File:104-82-5.mol
4-Methylbenzyl chloride Structure
4-Methylbenzyl chloride Chemical Properties
Melting point 4 °C(lit.)
Boiling point 200 °C(lit.)
density 1.062 g/mL at 25 °C(lit.)
refractive index n20/D 1.533(lit.)
Fp 168 °F
storage temp. 2-8°C
form Low Melting Solid or Liquid
color Colorless to white to yellow
Water Solubility Insoluble
Sensitive Lachrymatory
Merck 14,10091
BRN 507387
InChI1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
InChIKeyDMHZDOTYAVHSEH-UHFFFAOYSA-N
SMILESCc1ccc(CCl)cc1
CAS DataBase Reference104-82-5(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1-(chloromethyl)-4-methyl-(104-82-5)
EPA Substance Registry SystemBenzene, 1-(chloromethyl)-4-methyl- (104-82-5)
Safety Information
Hazard Codes C,Xi
Risk Statements 34-36/37/38-22
Safety Statements 26-27-36/37/39-45-37/39
RIDADR UN 2922 8/PG 3
WGK Germany 1
RTECS ZE4030000
F 19
Hazard Note Harmful/Corrosive/Lachrymatory
TSCA TSCA listed
HazardClass 8
PackingGroup III
HS Code 29036990
Storage Class8A - Combustible corrosive hazardous materials
Hazard ClassificationsAcute Tox. 4 Oral
Skin Corr. 1B
Hazardous Substances Data104-82-5(Hazardous Substances Data)
MSDS Information
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4-Methylbenzyl chloride Usage And Synthesis
Chemical Propertiesclear colourless to light yellow liquid
Usesα-Chloro-p-methyltoluene-13C is the labeled analogue of α-Chloro-p-methyltoluene(C369770). α-Chloro-p-methyltoluene is a building block that has been used as a reactant for the preparation of 6-aminoquinolone derivatives as submicromolar hepatitis C virus NS5B inhibitors
Synthesis The main process for the industrial production of 4-methylbenzyl chloride is currently based on 3-hydroxybenzaldehyde as raw material, and the target product is obtained by methylation with dimethyl sulfate, reduction with potassium borohydride or hydrogenation, and chlorination with alum chloride or concentrated hydrochloric acid.

Purification MethodsDry the chloride with CaSO4 and fractionally distil it under vacuum. [Beilstein 5 H 384, 5 III 854, 5 IV 966.]
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