m-Toluoyl chloride - CAS 1711-06-4
Catalog: |
BB012718 |
Product Name: |
m-Toluoyl chloride |
CAS: |
1711-06-4 |
Synonyms: |
Benzoyl chloride, 3-methyl-; m-Toluoyl chloride; 3-Toluoyl chloride; m-Methylbenzoyl chloride; m-Toluenecarbonyl chloride; m-Toluic acid chloride; m-Toluyl chloride; NSC 97207; Toluoyl chloride |
Related CAS: | 2244892-82-6 (Deleted CAS)
|
IUPAC Name: | 3-methylbenzoyl chloride |
Description: | m-Toluoyl chloride (CAS# 1711-06-4) is used as a reagent in the synthesis of glycine benzamides as oral GPR139 receptor agonists. m-Toluoyl Chloride is also used in the preparation of colchicine derivatives which have potent anticancer activity and reduced P-glycoprotein induction liability. |
Molecular Weight: | 154.59 |
Molecular Formula: | C8H7ClO |
Canonical SMILES: | CC1=CC=CC(=C1)C(=O)Cl |
InChI: | InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
InChI Key: | YHOYYHYBFSYOSQ-UHFFFAOYSA-N |
Boiling Point: | 219.5°C |
Melting Point: | -23°C |
Purity: | ≥95% |
Density: | 1.172 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Clear Colorless to Light Brown Liquid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00000681 |
LogP: | 2.37400 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | 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 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21581975 | 20090123 | N-(Diphenyl-carbamothio-yl)-3-methyl-benzamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0185425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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