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4-Fluorobenzaldehyde

4-Fluorobenzaldehyde structure

CAS No:
459-57-4
Formula:
C7H5FO
Chemical Name:
4-Fluorobenzaldehyde
Synonyms:
Benzaldehyde,4-fluoro-;Benzaldehyde,p-fluoro-;4-Fluorobenzaldehyde;p-Fluorobenzaldehyde;p-Fluorobenzenecarboxaldehyde;NSC 68095;2324861-00-7
Categories:
Agrochemicals > Pesticide Intermediates

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Description

Clear colorless to yellow liquid

4-Fluorobenzaldehyde Basic Attributes

Molecular Weight：

124.11200

Exact Mass：

124.11

EC Number：

207-293-6

UNII：

N8681893GA

NSC Number：

68095

DSSTox ID：

DTXSID0038756

HScode：

2913000090

Characteristics

PSA：

17.07000

XLogP3：

1.6

Appearance：

Clear very slight yellow liquid.

Density：

1.157

Melting Point：

-10 °C

Boiling Point：

181.5 °C

Flash Point：

56ºC

Refractive Index：

1.5195-1.5215

Water Solubility：

H2O: IMMISCIBLE

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool

Vapor Pressure：

3.51mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1989 3/PG 3

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Drug Information

MeSH Entry Terms：

4-fluorobenzaldehyde

4-Fluorobenzaldehyde Use and Manufacturing

Uses

1. 4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutical compounds.
2. Usually used in the preparation of pyrazolopyridine UR-13756.

Manufacturing Info：

Benzaldehyde, 4-fluoro-: ACTIVE

Computed Properties

Molecular Weight:124.11
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:124.032442941
Monoisotopic Mass:124.032442941
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:95.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

4-Chlorotoluene

Ethylene glycol

Carbon dioxide

Methanol

Dimethyl sulfoxide

Dimethylformamide

Benzene

Trifluoroacetic acid

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