2-Fluoro-5-methylbenzaldehyde - CAS 93249-44-6
Catalog: |
BB040819 |
Product Name: |
2-Fluoro-5-methylbenzaldehyde |
CAS: |
93249-44-6 |
Synonyms: |
2-fluoro-5-methylbenzaldehyde; 2-fluoro-5-methylbenzaldehyde |
IUPAC Name: | 2-fluoro-5-methylbenzaldehyde |
Description: | 2-Fluoro-5-methylbenzaldehyde (CAS# 93249-44-6) is a useful research chemical. |
Molecular Weight: | 138.14 |
Molecular Formula: | C8H7FO |
Canonical SMILES: | CC1=CC(=C(C=C1)F)C=O |
InChI: | InChI=1S/C8H7FO/c1-6-2-3-8(9)7(4-6)5-10/h2-5H,1H3 |
InChI Key: | QAWILFXCNRBMDF-UHFFFAOYSA-N |
Boiling Point: | 89 °C (15 mmHg) |
Density: | 1.129 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD02093762 |
LogP: | 1.94660 |
GHS Hazard Statement: | H314 (90.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020165247-A1 | Tetrahydropyran (thp)-substituted bicyclic-pyrimidinedione compounds | 20181029 |
WO-2020092208-A1 | Tetrahydropyran (thp)-substituted bicyclic-pyrimidinedione compounds | 20181029 |
TW-202030189-A | Tetrahydropyran (thp)-substituted bicyclic-pyrimidinedione compounds | 20181029 |
CN-113056465-A | Tetrahydropyran (THP) -substituted bicyclic pyrimidinedione compounds | 20181029 |
EP-3873904-A1 | Tetrahydropyran (thp)-substituted bicyclic-pyrimidinedione compounds | 20181029 |
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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