3-fluoro-5-methylbenzaldehyde - CAS 189628-39-5
Catalog: |
BB014647 |
Product Name: |
3-fluoro-5-methylbenzaldehyde |
CAS: |
189628-39-5 |
Synonyms: |
3-fluoro-5-methylbenzaldehyde; 3-fluoro-5-methylbenzaldehyde |
IUPAC Name: | 3-fluoro-5-methylbenzaldehyde |
Description: | 3-fluoro-5-methylbenzaldehyde (CAS# 189628-39-5) is a useful research chemical. |
Molecular Weight: | 138.14 |
Molecular Formula: | C8H7FO |
Canonical SMILES: | CC1=CC(=CC(=C1)C=O)F |
InChI: | InChI=1S/C8H7FO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3 |
InChI Key: | XXPITUUQKCGWNR-UHFFFAOYSA-N |
Boiling Point: | 197.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.136 g/cm3 |
MDL: | MFCD03094315 |
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-113149928-A | Fluoro-1, 2, 4-oxadiazole-containing compound and preparation method and application thereof | 20210509 |
AU-2017229129-A1 | Thiazolidinone compounds and use thereof | 20160307 |
CA-3015914-A1 | Thiazolidinone compounds and use thereof | 20160307 |
EP-3426246-A1 | Thiazolidinone compounds and use thereof | 20160307 |
JP-2019507765-A | Thiazolidinone compounds and uses thereof | 20160307 |
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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