3,5-Difluoro-4-methoxybenzaldehyde - CAS 654-11-5
Catalog: |
BB032725 |
Product Name: |
3,5-Difluoro-4-methoxybenzaldehyde |
CAS: |
654-11-5 |
Synonyms: |
3,5-difluoro-4-methoxybenzaldehyde; 3,5-difluoro-4-methoxybenzaldehyde |
IUPAC Name: | 3,5-difluoro-4-methoxybenzaldehyde |
Description: | 3,5-Difluoro-4-methoxybenzaldehyde (CAS# 654-11-5) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | COC1=C(C=C(C=C1F)C=O)F |
InChI: | InChI=1S/C8H6F2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3 |
InChI Key: | KBSLGHDKSCGXKQ-UHFFFAOYSA-N |
Boiling Point: | 246.642 °C at 760 mmHg |
Melting Point: | 38-40 °C |
Purity: | 95 % |
Density: | 1.289 g/cm3 |
MDL: | MFCD04115911 |
LogP: | 1.78590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111040878-A | Method for preparing aroma substance compound by fast pyrolysis of tobacco biomass | 20191126 |
CN-112574176-A | Heteroaryl compound and application thereof | 20190927 |
WO-2021057696-A1 | Heteroaryl compound and application thereof | 20190927 |
WO-2020200316-A1 | Pyrazolopyridine compound as ret inhibitor and application thereof | 20190403 |
CN-113474343-A | Pyrazolopyridine compound as RET inhibitor and application thereof | 20190403 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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