m-Tolylacetic acid - CAS 621-36-3
Catalog: |
BB031429 |
Product Name: |
m-Tolylacetic acid |
CAS: |
621-36-3 |
Synonyms: |
2-(3-methylphenyl)acetic acid |
IUPAC Name: | 2-(3-methylphenyl)acetic acid |
Description: | m-Tolylacetic acid (CAS# 621-36-3) is used as a reactant in the diastereoselective preparation of arylmethylene-isoindolinones. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=CC(=CC=C1)CC(=O)O |
InChI: | InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
InChI Key: | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
Boiling Point: | 275.5 °C at 760 mmHg |
Melting Point: | 61-66 °C |
Purity: | 98 % |
Density: | 1.127 g/cm3 |
Solubility: | 4065 mg/L at 25 °C (est) |
Appearance: | White to light beige powder. |
MDL: | MFCD00004340 |
LogP: | 1.62210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112851538-A | Method for promoting acylation of amine or alcohol by carbon dioxide | 20210305 |
CN-112679547-A | Preparation method of oil-soluble carboxylic acid complex | 20210107 |
CN-112830874-A | Preparation method of oil-soluble molybdenum carboxylate | 20210107 |
CN-111809068-A | Preparation method of ammonium metavanadate for all-vanadium redox flow battery | 20200908 |
CN-111809068-B | Preparation method of ammonium metavanadate for all-vanadium redox flow battery | 20200908 |
PMID | Publication Date | Title | Journal |
22259508 | 20120101 | N-(4,6-Dimeth-oxy-pyrimidin-2-yl)-2-(3-methyl-phen-yl)acetamide | Acta crystallographica. Section E, Structure reports online |
22064942 | 20111001 | N-(4-Chloro-1,3-benzothia-zol-2-yl)-2-(3-methyl-phen-yl)acetamide monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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