3-(4-Chlorophenoxy)-1,2-propanediol

Basic Information

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CAS Number

104-29-0

Molecular Formula

C9H11ClO3

Molecular Weight

202.64 g/mol

Basic Physical Properties

Melting Point

78-84°C

Boiling Point

369.45 ℃ at 760 mmHg

Water Solubility

Slightly soluble in water.

Refractive Index

1.5470 (estimate)

SMILES

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OCC(O)COc1ccc(Cl)cc1

InChI

InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2

InChIKey

MXOAEAUPQDYUQM-UHFFFAOYSA-N

LogP

1.072

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

135

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H313 May be harmful in contact with skin
Acute toxicity, dermal

H333 May be harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

3-(4-Chlorophenoxy)propane-1,2-diol
2-Amino-2-deoxyglucose
D-Glucose, 2-amino-2-deoxy-
SHRIMP-DERIVEDGLUCOSAMINE
SYNTHETICGLUCOSAMINE
2-amino-2-deoxy-d-glucos
2-amino-2-deoxy-d-glucose
2-Amino-2-deoxy-beta-D-glucopyranose
2-Amino-2-deoxy-α-D-glucopyranose
3-(4-Chlorophenoxy)-1,2-propanediol
3-(4-Chlorophenoxy)-1,2-propanediol (Chlorphenesin)
Chlorphenesin
Chlorphenesi
Adermykon
Chlorophenesin
Chlorphenesine
Chlorphenesinum
Clorfenesina
Demykon
Gecophen
Mycil
NSC 6401
2-Chlorp
Gechophen
Elestab CPN
CHLORPHENSIN
chlorfenezin
Chlorophene ether
p-Chlorophenyl glyceryl ether
2-Chlorphenesin
1,2-Propanediol, 3-(4-chlorophenoxy)-

MDL Number

MFCD00021990

Customs Code

2909499000

FAQ

What is 3-(4-Chlorophenoxy)-1,2-propanediol (CAS: 104-29-0)?

3-(4-Chlorophenoxy)-1,2-propanediol, with the CAS number 104-29-0, is an organic compound that contains a chlorophenoxy group attached to a propanediol backbone. It is a colorless liquid with moderate solubility in water and is commonly used in various industrial and pharmaceutical applications due to its versatile chemical structure.

What are the main uses of 3-(4-Chlorophenoxy)-1,2-propanediol (CAS: 104-29-0)?

3-(4-Chlorophenoxy)-1,2-propanediol is primarily used in pharmaceuticals as an intermediate for drug synthesis, in the production of herbicides due to its phenoxy functionality, and in research for developing new chemical compounds. It also finds applications in industrial processes involving organic chemistry and in certain food-related formulations.

Is 3-(4-Chlorophenoxy)-1,2-propanediol (CAS: 104-29-0) safe?

3-(4-Chlorophenoxy)-1,2-propanediol is generally considered safe when handled properly. However, it may cause skin and eye irritation, so protective measures such as gloves and safety goggles are recommended. Safety standards require proper ventilation and handling in accordance with OSHA and EPA guidelines to ensure minimal exposure and environmental impact.

How should 3-(4-Chlorophenoxy)-1,2-propanediol (CAS: 104-29-0) be stored?

3-(4-Chlorophenoxy)-1,2-propanediol should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a sealed, airtight container to maintain stability and prevent contamination. Storage conditions should be below 25°C and with low humidity to ensure long-term preservation and safety.