1,3-Benzodioxol-4-amine

Basic Information

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CAS Number

1668-84-4

Molecular Formula

C7H7NO2

Molecular Weight

137.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

32-33 ºC (hexane )

Boiling Point

140 ºC (10 Torr)

Flash Point

117.4±31.5 ºC,

SMILES

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C1OC2=CC=CC(=C2O1)N

InChI

InChI=1S/C7H7NO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4,8H2

InChIKey

KQMXPHISFRKBJP-UHFFFAOYSA-N

LogP

0.9975

Topological Polar Surface Area

44.480000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

129

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

1,3-BENZODIOXOL-4-AMINE
SCHEMBL505597
AC-26476
FT-0653114
1,3-dioxaindan-4-amine
2-Pyrimidinamine, 4-ethyl-
Benzo[d][1 pound not3]dioxol-4-amine
SY033385
AM803299
CS-W019676
AKOS006330774
Benzo[d][1,3]dioxol-4-amine
2H-1,3-benzodioxol-4-amine
EN300-105065
2,3-methylenedioxyaniline
4-amino-1,3-benzodioxole
1668-84-4
2,3-Methylenedioxyaniline; 4-Amino-1,3-benzodioxole
SB75549
DTXSID40437957
KQMXPHISFRKBJP-UHFFFAOYSA-N
MFCD09038121
J-503861
GS-3725
benzo[1,3]dioxol-4-ylamine
A810786
1,3-Benzodioxol-4-amine
2,3-Methylenedioxyaniline
3,4-methylenedioxyaniline
2H-1,3-benzodioxol-4-aMine
Aniline, 2,3-(methylenedioxy)-

MDL Number

MFCD09038121

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 1,3-Benzodioxol-4-amine (CAS: 1668-84-4)?

1,3-Benzodioxol-4-amine (CAS: 1668-84-4) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements. Manufacturers and users must comply with these guidelines for proper handling, storage, and disposal to ensure safety and environmental protection.

Are there alternatives to 1,3-Benzodioxol-4-amine (CAS: 1668-84-4) in synthesis?

While 1,3-Benzodioxol-4-amine (CAS: 1668-84-4) is a useful reagent, alternatives such as 2,3-Benzodioxol-5-amine and 1,3-Benzodioxol-5-amine can be considered based on specific synthetic needs. Other substitutes like imidazoles or triazoles may also offer similar functionalities, but the choice depends on the desired product and reaction conditions.

What is the market or research trend for 1,3-Benzodioxol-4-amine (CAS: 1668-84-4)?

The market for 1,3-Benzodioxol-4-amine (CAS: 1668-84-4) is driven by its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as a building block in medicinal chemistry and synthetic organic chemistry. Increasing interest in sustainable and eco-friendly chemical processes is also influencing the development of its use in various industries.

How should waste containing 1,3-Benzodioxol-4-amine (CAS: 1668-84-4) be handled?

Waste containing 1,3-Benzodioxol-4-amine (CAS: 1668-84-4) should be collected and disposed of according to local and national regulations. It is advisable to neutralize the waste with a suitable base before disposal. Professional waste disposal services are recommended to ensure safe and environmentally friendly management. Incineration can be another method, but it should be conducted under controlled conditions to minimize environmental impact.