2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1)

Basic Information

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CAS Number

3685-84-5

Molecular Formula

C12H17Cl2NO3

Molecular Weight

294.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

133-135 ºC

Boiling Point

345.9ºC at 760mmHg

Flash Point

345.9°Cat760mmHg

Refractive Index

1.6140 (estimate)

SMILES

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CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl.Cl

InChI

InChI=1S/C12H16ClNO3.ClH/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;/h3-6H,7-9H2,1-2H3;1H

InChIKey

FIVHOHCAXWQPGC-UHFFFAOYSA-N

LogP

2.2454000000000005

Topological Polar Surface Area

38.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

228

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in mice (mg/kg): 330 i.v.; 1750 orally; 845 i.p. (Rumpf, Thuillier)

Synonyms & References

English

Cerutil
Brenal
DTXSID8045141
Centrophenoxine (VAN)
CHEMBL1256131
Dimethylaminoethyl ester of p-chlorophenoxyacetic acid hydrochloride
Meclofenoxate (hydrochloride)
Prestwick_978
NSC4268
Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)
KS-1179
Meclofenoxate Hydrochloride 1.0 mg/ml in Acetonitrile (as free base)
Helfergin
Methoxynal
Centrophenoxine hydrochloride
NCGC00093712-03
AKOS008968424
Meclofenoxate hydrochloride [JAN]
NCGC00180932-01
2-(dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride
HMS1922K09
DTXCID6025141
2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride
Centrofenoxin
Centrophenoxine HCl
NCGC00015279-02
Meclofenoxate (Centrophenoxine) HCl
NSC113619
M2460
D02243
MLS002153989

MDL Number

MFCD00012533

Customs Code

2922509090

FAQ

What is 2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) (CAS: 3685-84-5)?

2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) is a chemical compound with the CAS number 3685-84-5. It is a salt formed by the reaction of 2-(dimethylamino)ethyl (4-chlorophenoxy)acetate with hydrochloric acid in a 1:1 ratio. The compound is typically used in pharmaceutical and agrochemical applications due to its functional groups, which include an amine and an ester. It is a white to pale yellow solid with good solubility in water.

What are the main uses of 2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) (CAS: 3685-84-5)?

2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) (CAS: 3685-84-5) is primarily used in pharmaceuticals as an intermediate for drug synthesis. It also finds application in agrochemicals, particularly in herbicide formulations. Additionally, it is used in research for developing new compounds and in industrial processes for chemical manufacturing. Its unique structure makes it valuable in various chemical reactions and formulations.

Is 2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) (CAS: 3685-84-5) safe?

The safety of 2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) (CAS: 3685-84-5) depends on its handling and application. It is generally considered safe when used in controlled environments and according to safety guidelines. However, proper protective equipment, such as gloves and goggles, should be worn during handling. It is important to follow local regulations and safety standards for chemical use and disposal to ensure safe handling.

How should 2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) (CAS: 3685-84-5) be stored?

2-(Dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride (1:1) (CAS: 3685-84-5) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container to prevent moisture absorption. Storage temperature should be maintained between 15°C to 25°C. Avoid exposure to incompatible substances and ensure proper labeling for safe handling and storage.