4-Fluoro-2-methylbenzaldehyde - CAS 63082-45-1
Catalog: |
BB031990 |
Product Name: |
4-Fluoro-2-methylbenzaldehyde |
CAS: |
63082-45-1 |
Synonyms: |
4-fluoro-2-methylbenzaldehyde |
IUPAC Name: | 4-fluoro-2-methylbenzaldehyde |
Description: | 4-Fluoro-2-methylbenzaldehyde (CAS# 63082-45-1) is a useful research chemical. |
Molecular Weight: | 138.14 |
Molecular Formula: | C8H7FO |
Canonical SMILES: | CC1=C(C=CC(=C1)F)C=O |
InChI: | InChI=1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3 |
InChI Key: | ADCFIKGEGWFWEA-UHFFFAOYSA-N |
Boiling Point: | 87 °C / 14 mmHg |
Purity: | 98 % |
Density: | 1.144 g/cm3 |
MDL: | MFCD02261764 |
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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111892582-A | Preparation method of benzofuran coumarin compound | 20200716 |
CN-111217737-A | Synthesis method of 1-trifluoroethoxy indan-succinimide compound | 20200313 |
US-2021292301-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
WO-2021160718-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
WO-2021018173-A1 | Adenosine receptor antagonist | 20190730 |
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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