3-Fluoro-p-anisaldehyde

HCID 67696CAS 351-54-2
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C=O)cc1F
InChIKey
SOQCZBSZZLWDGU-UHFFFAOYSA-N
Molecular formula
C8H7FO2
Average molar mass
154.14 g/mol
Monoisotopic mass
154.04300768

Names & identifiers

Preferred name
3-Fluoro-p-anisaldehyde
IUPAC
3-fluoro-4-methoxybenzaldehyde
English name
3-Fluoro-4-methoxybenzaldehyde
Molecular formula
C8H7FO2
Molecular weight
154.14

Names & synonyms

3-Fluoro-4-methoxybenzaldehyde351-54-23-Fluoro-p-anisaldehydeEINECS 206-514-3SOQCZBSZZLWDGU-UHFFFAOYSA-DTXSID20188596RefChem:501926DTXCID80111087206-514-3InChI=1/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3MFCD000033493-fluoro-4-anisaldehyde
Show more names
3-Fluoroanisaldehyde3-fluoro-para-anisaldehyde3-Fluoro-p-anisaldehyde>3-FLUORO-4-METHOXYBENZALDEHYDE4-Methoxy-3-fluorobenzaldehyde3-Fluoro-4-methoxybenzaldehyde,98%3-fluoro-4-methoxybenzaldehyde(SALTDATA: FREE)
Benzaldehyde, 3-fluoro-4-methoxy-3-fluoro-4-methoxy-benzaldehydeK2CG7GUS9W3-fluoro-4-methoxy benzaldehyde3-Fluoro-p-anisaldehyde;4-Methoxy-3-fluorobenzaldehyde;3-fluoro-anisaldehydeUNII-K2CG7GUS9W

Database identifiers

CAS
351-54-2
PubChem CID
67696
DTXSID
DTXSID20188596
UNII
K2CG7GUS9W
EC Number
206-514-3
Nikkaji
J35C

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
34 · 34-35 °C (lit.)
Boiling point
129 · 129-132°C 11mm
Density
1.192 · 1.192±0.06 g/cm3(Predicted)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28403
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29130000
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses3-Fluoro-4-methoxybenzaldehyde is a useful reagent in the synthesis of resveratrol derivatives as potent inhibitors of lysine specific demethylase 1 (LSD1), a therapeutic target for cancer treatment and other related diseases. Also a reagent for the synthesis of substituted pyrazolyl piperidine derivatives as antiplatelet agents with antiplatelet aggregation activity in the human body.

General DescriptionThe nuclear magnetic resonance spectral parameters for 3-Fluoro-4-methoxybenzaldehyde has been studied.

Upstream & downstream products

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

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Linked notes

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