2-Methylbenzyl chloride - CAS 552-45-4
Catalog: |
BB028966 |
Product Name: |
2-Methylbenzyl chloride |
CAS: |
552-45-4 |
Synonyms: |
1-(chloromethyl)-2-methylbenzene |
IUPAC Name: | 1-(chloromethyl)-2-methylbenzene |
Description: | 2-Methylbenzyl chloride (CAS# 552-45-4) is a building block that has been used in the preparation of fenarimol analogs showing curative activity in an experimental model of Chagas disease. |
Molecular Weight: | 140.61 |
Molecular Formula: | C8H9Cl |
Canonical SMILES: | CC1=CC=CC=C1CCl |
InChI: | InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3 |
InChI Key: | VQRBXYBBGHOGFT-UHFFFAOYSA-N |
Boiling Point: | 197-199 °C |
Melting Point: | -2 °C |
Flash Point: | 165 °F |
Purity: | 98 % |
Density: | 1.08 g/cm3 |
Appearance: | A colorless to pale-yellow colored liquid with a pungent odor. insoluble in water. slightly denser than water. flash point 165°f. contact may irritate skin, eyes, and mucous membranes. may be toxic by ingestion. used to make other chemicals. |
Storage: | 0-6 °C |
Decomposition: | See m-xylyl chloride. Dangerous... /m-xylyl chloride See chlorides. ...When heated to decomp or on contact with acids or acid fumes they evolve highly toxic chloride fumes. Some org chlorides decomp to yield phosgene. /chlorides/ |
MDL: | MFCD00000899 |
LogP: | 2.73380 |
GHS Hazard Statement: | H290 (67.65%): May be corrosive to metals [Warning Corrosive to Metals] |
Precautionary Statement: | P234, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P390, P404, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461639-A | Piperazine-containing ferulic acid derivative, and preparation method and application thereof | 20210708 |
CN-112608225-A | Method for synthesizing o-methylphenylacetic acid | 20201223 |
CN-112079747-A | N-benzyloxy substituted symmetrical oxamide compound and preparation method and application thereof | 20201020 |
CN-111925349-A | Daphnetin derivative as inhibitor and application and pharmaceutical composition thereof | 20200903 |
CN-112125876-A | Synthetic method of 3-isochromone | 20200825 |
PMID | Publication Date | Title | Journal |
22606097 | 20120401 | 1-(2-Methyl-benz-yl)-1H-indole-3-carbaldehyde | 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 |
Complexity: | 80.6 |
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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