3-Fluorobenzaldehyde
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Basic information
- CAS
456-48-4- Standard SMILES
O=Cc1cccc(F)c1- InChIKey
PIKNVEVCWAAOMJ-UHFFFAOYSA-N- Molecular formula
- C7H5FO
- Average molar mass
- 124.11 g/mol
- Monoisotopic mass
- 124.032443
Overview
3-fluorobenzaldehyde is a member of the class of benzaldehydes that is benzaldehyde substituted by a fluoro group at position 3. It is a member of benzaldehydes and a member of monofluorobenzenes.
Names & identifiers
- Preferred name
- 3-Fluorobenzaldehyde
- IUPAC
- 3-fluorobenzaldehyde
- English name
- 3-Fluorobenzaldehyde
- Molecular formula
- C7H5FO
- Molecular weight
- 124.11
Names & synonyms
3-Fluorobenzaldehyde456-48-4Benzaldehyde, 3-fluoro-meta-Fluorobenzaldehyde3-fluoro-benzaldehyde3-FC6H4CHOEINECS 207-266-9NSC 66830DTXSID9060027CHEBI:156102RefChem:93944DTXCID3040439
Show more names
AKOS BBS-000032623-FluorbenzaldehydFluorobenzaldehyde23-fluoro-benzaldehyd3-Fluorobenzakdehyde
207-266-9InChI=1/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5PIKNVEVCWAAOMJ-UHFFFAOYSA-Nm-FluorobenzaldehydeMFCD00003348Benzaldehyde, m-fluoro-NSC-668303'-fluoro-benzaldehyde
Database identifiers
- CAS
456-48-4- PubChem CID
- 68009
- DTXSID
DTXSID9060027- ChEMBL
CHEMBL3884568- ChEBI
CHEBI:156102- UNII
- 3XU6KD28Y5
- EC Number
- 207-266-9
- Nikkaji
- J150.774E
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
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 173 C · 173 C
- Boiling point
- 66 · 66-68 °C20 mm Hg(lit.)
- Density
- 1.17 g/mL · 1.17 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.518(lit.)
- Flash point
- 134 °F · 134 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform, Methanol
- form
- Liquid
- Specific Gravity
- 1.17 · 1.170
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- BRN
- 970178 · 970178
- InChI
- 1S/C7H5FO/c8-7-3-1-2-6(4-7)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 (98%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (98%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 3
- hs_code
- 29130000
- risk_code
- 37/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
- Flammable
- safety_code
- 24/25-37/39-26-36/37/39-27
- hazard_class
- 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 3-fluoro-: ACTIVE
Applications
Uses3-Fluorobenzaldehyde is a monofluorinated aromatic aldehyde with potential antimicrobial activity. 3-Fluorobenzaldehyde showed inhibitory effects on the activity of mushroom tyrosinase.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
245 records
Compound notes
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