3-Isopropoxyaniline

Basic Information

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CAS Number

41406-00-2

Molecular Formula

C9H13NO

Molecular Weight

151.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

229-230 °C

Refractive Index

n20/D 1.5500(lit.)

SMILES

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CC(C)OC1=CC=CC(=C1)N

InChI

InChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3

InChIKey

QMGBIPKOKCSUCL-UHFFFAOYSA-N

LogP

2.056

Topological Polar Surface Area

35.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

114

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

QMGBIPKOKCSUCL-UHFFFAOYSA-
AS-47937
3-Isopropoxyaniline, 97%
meta-isopropoxyaniline
3-isopropoxybenzenamine
isopropoxyaniline
I0448
F5608-0062
m-Aminophenyl isopropyl ether
EN300-244056
AKOS000146456
SB75744
FT-0639711
3-(propan-2-yloxy)aniline
F17045
m-Isopropoxyaniline
SCHEMBL105230
3-isopropoxy aniline
3-propan-2-yloxyaniline
41406-00-2
AMY11232
Z239604760
3-Isopropoxyaniline
DTXSID30341458
3-Isopropoxy-phenylamine
MFCD00052700
InChI=1/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3
Benzenamine, 3-(1-methylethoxy)-
3-Isopropoxyaniline #
CS-W010961
TIMTEC-BB SBB010221

MDL Number

MFCD00052700

Customs Code

2922299090

FAQ

What are the physical and chemical properties of 3-Isopropoxyaniline (CAS: 41406-00-2)?

3-Isopropoxyaniline is a white crystalline solid with a molecular weight of approximately 152.24 g/mol. It has a low solubility in water (0.3 g/100 mL at 20°C) but is more soluble in organic solvents like ethanol and acetone. Chemically, it is an amine and reacts readily with acids to form salts. It is also susceptible to oxidation and hydrolysis under certain conditions.

How is 3-Isopropoxyaniline (CAS: 41406-00-2) typically synthesized?

3-Isopropoxyaniline is commonly synthesized by the reaction of aniline with isopropyl alcohol in the presence of a strong acid, such as sulfuric acid. The reaction is believed to occur via a Williamson ether synthesis followed by an elimination step. The yield is typically around 75-85%, and the reaction is exothermic and requires careful temperature control.

What industries use 3-Isopropoxyaniline (CAS: 41406-00-2)?

3-Isopropoxyaniline is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of dyes and pigments, as well as in the manufacturing of coatings and adhesives. Additionally, it has applications in the polymer industry for the preparation of certain types of resins.

What precautions should be taken when handling 3-Isopropoxyaniline (CAS: 41406-00-2)?

When handling 3-Isopropoxyaniline, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It is flammable and should be stored in a cool, well-ventilated area away from heat sources and oxidizers. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.