5-Isocyanato-1,3-benzodioxole

Basic Information

View in Editor

CAS Number

69922-28-7

Molecular Formula

C8H5NO3

Molecular Weight

163.13 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

48-51 °C

Boiling Point

265.6 °C at 760 mmHg

Density

1.36

Refractive Index

1.603

SMILES

View in Editor

C1OC2=C(O1)C=C(C=C2)N=C=O

InChI

InChI=1S/C8H5NO3/c10-4-9-6-1-2-7-8(3-6)12-5-11-7/h1-3H,5H2

InChIKey

GTTXYMVUACJZRG-UHFFFAOYSA-N

LogP

1.3825999999999998

Topological Polar Surface Area

47.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

212

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Class TOXIC Class TOXIC

Synonyms & References

English

5-isocyanato-1,3-dioxaindane
DTXSID10411209
3,4-(Methylenedioxy)phenyl isocyanate
1,3-Benzodioxole,5-isocyanato-(9CI)
1,3-Benzodioxol-5-yl isocyanate
5-isocyanato-2H-1,3-benzodioxole
3,4-methylenedioxyphenylisocyanate
3,4-(Methylenedioxy)phenyl isocyanate, 98%
3,4-methylenedioxy-phenyl isocyanate
GTTXYMVUACJZRG-UHFFFAOYSA-N
Z316172548
AKOS000183843
3,4-(methylendioxy)phenyl-isocyanate
MFCD01863692
FT-0678565
5-isocyanato-benzo[1,3]dioxole
AS-40373
3,4-(methylenedioxy)phenyl-isocyanate
3,4-(methylenedioxy)phenylisocyanate
5-isocyanatobenzo[d][1,3]dioxole
EN300-108964
3,4-methylenedioxyphenyl isocyanate
69922-28-7
F2190-0552
SCHEMBL140824
1,3-Benzodioxole, 5-isocyanato-
5-isocyanato-1,3-benzodioxole
5-Isocyanato-1,3-benzodioxole
5-isocyanato-1,3-benzodioxole(SALTDATA: FREE)
5-isocyanoto-1,3-benzodioxole

MDL Number

MFCD01863692

Customs Code

2932999099

FAQ

What is 5-Isocyanato-1,3-benzodioxole (CAS: 69922-28-7)?

5-Isocyanato-1,3-benzodioxole is a chemical compound with a CAS number of 69922-28-7. It is a colorless to white crystalline solid with a molecular formula of C8H6N2O2. This compound is characterized by its isocyanate functional group, which makes it reactive in various chemical processes.

What are the main uses of 5-Isocyanato-1,3-benzodioxole (CAS: 69922-28-7)?

5-Isocyanato-1,3-benzodioxole (CAS: 69922-28-7) is primarily used in the synthesis of various organic compounds due to its reactive isocyanate group. It also finds applications in pharmaceuticals, where it can be used as an intermediate for the production of certain drugs. Additionally, it is used in the manufacturing of polyurethane materials and as a reagent in organic chemistry research.

Is 5-Isocyanato-1,3-benzodioxole (CAS: 69922-28-7) safe?

5-Isocyanato-1,3-benzodioxole (CAS: 69922-28-7) can be hazardous when not handled properly due to its isocyanate group, which can cause respiratory issues and skin irritation. Proper protective measures, including the use of gloves, goggles, and respiratory protection, are essential. This compound should be used in a well-ventilated area and away from sources of ignition.

How should 5-Isocyanato-1,3-benzodioxole (CAS: 69922-28-7) be stored?

5-Isocyanato-1,3-benzodioxole (CAS: 69922-28-7) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture absorption. This compound should be stored at room temperature or below 25°C to ensure stability and safety.