o-Fluorobenzaldehyde
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Basic information
- CAS
446-52-6- Standard SMILES
O=Cc1ccccc1F- InChIKey
ZWDVQMVZZYIAHO-UHFFFAOYSA-N- Molecular formula
- C7H5FO
- Average molar mass
- 124.11 g/mol
- Monoisotopic mass
- 124.03244294
Names & identifiers
- Preferred name
- o-Fluorobenzaldehyde
- IUPAC
- 2-fluorobenzaldehyde
- English name
- 2-Fluorobenzaldehyde
- Molecular formula
- C7H5FO
- Molecular weight
- 124.11
Names & synonyms
2-Fluorobenzaldehyde446-52-6o-FluorobenzaldehydeBenzaldehyde, 2-fluoro-Benzaldehyde, o-fluoro-EINECS 207-171-27ZX20DXB9ZNSC 66829BRN 0507155NSC-66829DTXSID80220304-07-00-00559 (Beilstein Handbook Reference)
Show more names
Fluorobenzaldehyde1AKOS BBS-000031502-Fluorbenzaldehyd2-FLUOROBENZALDHYDE2-fluoro-benzaldehyd2-FluorobenzaldethydeLABOTEST-BB LT00941219
RefChem:855262Benzaldehyde, o-fluoro-(8CI)DTXCID102030207-171-2InChI=1/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5ortho-FluorobenzaldehydeMFCD00003302fluorobenzaldehyde
Database identifiers
- CAS
446-52-6- PubChem CID
- 67970
- DTXSID
DTXSID8022030- ChEMBL
CHEMBL4084647- UNII
- 7ZX20DXB9Z
- EC Number
- 207-171-2
- Nikkaji
- J30.717C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- 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
- 103
Experimental & physicochemical properties
Kovats Retention Index941.5；947.3；931
Physicochemical properties
- Melting point
- -45 °C · -45 °C
- Boiling point
- 175 °C · 175 °C
- Density
- 1.19 · 1.19
- refractive index
- 1.52 · 1.52
- Flash point
- 55 °C · 55 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- clear liquid
- Specific Gravity
- 1.178 · 1.178
- color
- Colorless to Light orange to Yellow
- Water Solubility
- INSOLUBLE
- Sensitive
- Air Sensitive
- BRN
- 507155 · 507155
- InChI
- 1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H
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 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (98.1%)；STOT SE 3 (96.2%)
Regulatory information
Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Safety data
Chemistry & industry
Applications
Uses2-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide was synthesized by the reaction of 2-hydroxybenzoylhydrazine with 2-fluorobenzaldehyde in ethanol. Synthesis of n-aryl indolines from 2-fluorobenzaldehyde dimethylhydrazone derivatives which is an approach to preparation of c(aryl)-n(amine) bond atropisomeric amines. The o-dialkylaminobenzaldehydes were conveniently prepared by nucleophilic displacement of the activated fluorine in 2-fluorobenzaldehyde with the required dialkylamine in hot dimethylformamide. N-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide methanol solvate in the reaction of quinolin-8-yloxyacetic acid hydrazide and 2-fluorobenzaldehyde.
Upstream & downstream products
Downstream products
Related reactions
334 records
Compound notes
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