4-Fluorobenzaldehyde
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Basic information
- CAS
459-57-4- Standard SMILES
O=Cc1ccc(F)cc1- InChIKey
UOQXIWFBQSVDPP-UHFFFAOYSA-N- Molecular formula
- C7H5FO
- Average molar mass
- 124.11 g/mol
- Monoisotopic mass
- 124.032443
Names & identifiers
- Preferred name
- 4-Fluorobenzaldehyde
- IUPAC
- 4-fluorobenzaldehyde
- English name
- 4-Fluorobenzaldehyde
- Molecular formula
- C7H5FO
- Molecular weight
- 124.11
Names & synonyms
4-Fluorobenzaldehyde459-57-4p-FluorobenzaldehydeBenzaldehyde, 4-fluoro-Benzaldehyde, p-fluoro-DTXSID0038756NSC-68095N8681893GADTXCID8018756RefChem:858068207-293-6para-Fluorobenzaldehyde
Show more names
PFBAPFADNSC 68095JACS-459-57-4AKOS BBS-000031664-Fluorbenzaldehydp-Fluoro benzaldehy
MFCD000033784-flurobenzaldehyde4-fluoro-benzaldehydeCHEMBL3183207Benzaldehyde-2,3,5,6-d4, 4-fluoro-p-fluorbenzaldehydeUNII-N8681893GA4fluorobenzaldehyde
Database identifiers
- CAS
459-57-4- PubChem CID
- 68023
- DTXSID
DTXSID0038756- ChEMBL
CHEMBL3183207- UNII
- N8681893GA
- EC Number
- 207-293-6
- Nikkaji
- J30.718A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.1
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -10 °C · -10 °C
- Boiling point
- 181 °C · 181 °C
- Density
- 1.18 · 1.18
- vapor pressure
- 19 hPa · 19 hPa (70 °C)
- refractive index
- 1.52 · 1.52
- Flash point
- 56 °C · 56 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform, Methanol
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.157 · 1.157
- Water Solubility
- IMMISCIBLE
- Sensitive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (82.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 4-fluoro-
Status: Active Update: 02-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20621
4-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (82.4%)
Flammable liquids - Category 3
Safety data
- F
- 9-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 3
- hs_code
- 2913000090
- risk_code
- 36/37/38
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-fluoro-: ACTIVE
Applications
UsesUsually used in the preparation of pyrazolopyridine UR-13756.
Uses4-Fluorobenzaldehyde is used in the preparation of pyrazolopyridine derivative, which finds application as mitogen-activated protein kinase (MAPK) inhibitor. It also serves as a synthetic intermediate in the preparation of pharmaceutical compounds.
Uses4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutic al compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1,520 records
Compound notes
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