3-Fluorobenzaldehyde

HCID 68009CAS 456-48-4
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Basic information

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 properties

XLogP
1.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Additional notes

DefinitionChEBI: 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 monofluorobenzenes and a member of benzaldehydes.

Related reactions

245 records
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Linked notes

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