4-Methylbenzyl chloride - CAS 104-82-5
Catalog: |
BB001488 |
Product Name: |
4-Methylbenzyl chloride |
CAS: |
104-82-5 |
Synonyms: |
1-(chloromethyl)-4-methylbenzene |
IUPAC Name: | 1-(chloromethyl)-4-methylbenzene |
Description: | 4-Methylbenzyl chloride (CAS# 104-82-5) 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. |
Molecular Weight: | 140.61 |
Molecular Formula: | C8H9Cl |
Canonical SMILES: | CC1=CC=C(C=C1)CCl |
InChI: | InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3 |
InChI Key: | DMHZDOTYAVHSEH-UHFFFAOYSA-N |
Boiling Point: | 200-202 °C |
Purity: | 98 % |
Density: | 1.062 g/cm3 |
Solubility: | Practically insol in water; miscible with absolute alcohol |
Appearance: | Clear colourless to light yellow liquid |
Decomposition: | When heated to decomp ... Emits toxic fumes of /hydrogen chloride |
MDL: | MFCD00000919 |
LogP: | 2.73380 |
Stability: | Fuming |
Vapor Pressure: | 0.29 [mmHg] |
GHS Hazard Statement: | H302 (98.36%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21754852 | 20110601 | 2-{(1R,2R)-2-[Bis(4-methyl-benz-yl)amino]-cyclo-hex-yl}isoindoline-1,3-dione | Acta crystallographica. Section E, Structure reports online |
21580077 | 20091219 | 1,3-Bis(4-methyl-benz-yl)pyrimidine-2,4(1H,3H)-dione | Acta crystallographica. Section E, Structure reports online |
21582581 | 20090325 | N-[(E)-2-Chloro-benzyl-idene]-3-(4-methyl-benzyl-sulfan-yl)-5-(3,4,5-trimethoxy-phen-yl)-4H-1,2,4-triazol-4-amine | Acta crystallographica. Section E, Structure reports online |
15239008 | 20040701 | Photolysis of alpha-xylyl chlorides: an efficient deep-UV photoinitiating system for radical and cationic polymerization | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
11925258 | 20020405 | Preparation of 2,6-dimethyl-4-arylpyridine- 3,5-dicarbonitrile: a paired electrosynthesis | The Journal of organic chemistry |
Complexity: | 72.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0392780 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0392780 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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