2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate

Basic Information

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CAS Number

532-03-6

Molecular Formula

C11H15NO5

Molecular Weight

241.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

94.0 to 98.0 deg-C

Boiling Point

472.5°C at 760 mmHg

Flash Point

206.5±31.5 °C

Refractive Index

1.5080 (estimate)

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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COC1=CC=CC=C1OCC(COC(=O)N)O

InChI

InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)

InChIKey

GNXFOGHNGIVQEH-UHFFFAOYSA-N

LogP

0.5302000000000002

Topological Polar Surface Area

91.01 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

236

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Synonyms & References

English

Traumacut
DivK1c_000434
(+/-)-3-(O-METHOXYPHENOXY)-1,2-PROPANEDIOL 1-CARBAMATE
NCGC00089805-02
METHOCARBAMOL COMPONENT OF ROBAXISAL
KBio2_001477
CHEBI:77498
Methocarbamolum (INN-Latin)
GNXFOGHNGIVQEH-UHFFFAOYSA-N
BCP13801
Tresortil
Guaiphenesin carbamate
NSC 170960
HSDB 3122
NSC-757112
BSPBio_000107
Metocarbamol
AKOS015960743
ROBAXIN-750
3967-43-9
methocarbamol
Parabaxin
125OD7737X
METHOCARBAMOL [USP MONOGRAPH]
HMS3369B17
Neuraxin
UNII-125OD7737X
METHOCARBAMOL [HSDB]
Methocarbamol Tablets, USP, 500 mg
NC00509
METHOCARBAMOL [VANDF]

MDL Number

MFCD00057662

Customs Code

2924299090

FAQ

What is 2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate (CAS: 532-03-6)?

2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate (CAS: 532-03-6) is a chemical compound with the molecular formula C13H16O5N. It is a white crystalline solid, soluble in polar solvents, and commonly used as an intermediate in organic synthesis. Its structure features a carbonimidate group linked to a propyl chain with hydroxy and methoxyphenoxy functional groups, making it valuable in pharmaceutical and agrochemical research.

What are the main uses of 2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate (CAS: 532-03-6)?

This compound is primarily used as an intermediate in the pharmaceutical industry for synthesizing drugs targeting metabolic disorders. It also finds applications in agrochemicals, such as herbicides, and in research for developing new chemical compounds. Its versatility in functional group manipulation makes it a key component in organic synthesis processes.

Is 2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate (CAS: 532-03-6) safe?

While 2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate (CAS: 532-03-6) is not classified as highly toxic, it requires careful handling to ensure safety. Precautions include wearing personal protective equipment (PPE) and following standard laboratory protocols. Its safety profile is generally considered acceptable under controlled conditions, but it should be stored and used in accordance with OSHA and EPA guidelines.

How should 2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate (CAS: 532-03-6) be stored?

To maintain stability, 2-Hydroxy-3-(2-methoxyphenoxy)propyl hydrogen carbonimidate (CAS: 532-03-6) should be stored in a cool, dry, and dark place, ideally below 25°C. It requires airtight containers to prevent moisture ingress and should be kept away from incompatible substances. Proper storage ensures optimal shelf life and minimizes chemical degradation risks.