2-Fluoro-6-methylbenzaldehyde - CAS 117752-04-2
Catalog: |
BB004004 |
Product Name: |
2-Fluoro-6-methylbenzaldehyde |
CAS: |
117752-04-2 |
Synonyms: |
2-fluoro-6-methylbenzaldehyde |
IUPAC Name: | 2-fluoro-6-methylbenzaldehyde |
Description: | 2-Fluoro-6-methylbenzaldehyde (CAS# 117752-04-2) 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/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,1H3 |
InChI Key: | BGQBJWPZBBMKEI-UHFFFAOYSA-N |
Boiling Point: | 200.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.136 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD09258962 |
LogP: | 1.94660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P321, P332+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112759560-A | Benzothiazine-4-ketone compound containing N-aminopiperazine segment and preparation method thereof | 20210114 |
WO-2021127333-A1 | Trpml modulators | 20191219 |
CN-108892601-B | Preparation method of polycyclic aromatic hydrocarbon with benzofluorene structure | 20180810 |
EP-3718545-A1 | Antitumor agent | 20171129 |
US-2020405697-A1 | Antitumor Agent | 20171129 |
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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