3-Fluoro-2-methylbenzaldehyde - CAS 147624-13-3
Catalog: |
BB010220 |
Product Name: |
3-Fluoro-2-methylbenzaldehyde |
CAS: |
147624-13-3 |
Synonyms: |
3-fluoro-2-methylbenzaldehyde |
IUPAC Name: | 3-fluoro-2-methylbenzaldehyde |
Description: | 3-Fluoro-2-methylbenzaldehyde (CAS# 147624-13-3) is used as a reagent in the synthesis of resveratrol derivatives with curcumin moiety as antitubulin agents and potential antitumor agents. 3-Fluoro-2-methylbenzaldehyde is also used in the preparation of indenopyrazine dicarbonitriles as inhibitors of deubiquitinating enzymes. |
Molecular Weight: | 138.14 |
Molecular Formula: | C8H7FO |
Canonical SMILES: | CC1=C(C=CC=C1F)C=O |
InChI: | InChI=1S/C8H7FO/c1-6-7(5-10)3-2-4-8(6)9/h2-5H,1H3 |
InChI Key: | HSUCYMJBFHBMTB-UHFFFAOYSA-N |
Boiling Point: | 92-93 ℃ (20 mmHg) |
Purity: | 98 % |
Density: | 1.16 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00075256 |
LogP: | 1.94660 |
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-112778299-A | Piperazine ureido derivative, preparation method and medical application thereof | 20191104 |
CN-112574235-A | RET inhibitor, pharmaceutical composition and application thereof | 20190929 |
WO-2021018238-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20190731 |
WO-2021018239-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20190731 |
WO-2020245246-A1 | Alternative process for the preparation of 4-phenyl-5-alkoxycarbonyl-2-thiazol-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1h-imidazo[1,5-a]pyrazin-2-yl]-carboxylic acid | 20190606 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.048093005 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.048093005 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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