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4-(Diethylamino)-3-fluorobenzaldehyde

HCID 178928343
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Basic information

CAS
152725-10-5
Standard SMILES
CCN(CC)c1ccc(C=O)cc1F
InChIKey
ZHHVPRUEBWLGCP-UHFFFAOYSA-N
Molecular formula
C11H14FNO
Average molar mass
195.23 g/mol

Names & identifiers

Preferred name
4-(Diethylamino)-3-fluorobenzaldehyde
IUPAC
4-(diethylamino)-3-fluorobenzaldehyde
English name
4-(diethylamino)-3-fluorobenzaldehyde
Molecular formula
C11H14FNO
Molecular weight
195.23

Names & synonyms

4-(diethylamino)-3-fluorobenzaldehyde152725-10-5SCHEMBL7995434ZHHVPRUEBWLGCP-UHFFFAOYSA-NCGA72510AKOS0002605323-fluoro-4-diethylaminobenzenecarboxaldehydeEN300-83002G59680Z335439582Benzaldehyde, 4-(diethylamino)-3-fluoro-

Database identifiers

CAS
152725-10-5

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
182

Physicochemical properties

Boiling point
289.6 · 289.6±30.0 °C(Predicted)
Density
1.107 · 1.107±0.06 g/cm3(Predicted)
pka
3.17 · 3.17±0.50(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

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