1,3-Benzodioxol-5-yl isocyanate

1,3-Benzodioxol-5-yl isocyanate - Names and Identifiers

Name	3,4-(Methylenedioxy)phenyl isocyanate
Synonyms	5-Isocyanato-1,3-benzodioxole 1,3-Benzodioxol-5-yl isocyanate 1,3-Benzodioxole,5-isocyanato-(9CI) 3,4-(Methylenedioxy)phenyl isocyanate 3,4-(METHYLENEDIOXY)PHENYL ISOCYANATE 5-Isocyanato-1,3-benzodioxole, 3,4-(Methylenedioxy)phenyl isocyanate
CAS	69922-28-7
InChI	InChI=1/C8H5NO3/c10-4-9-6-1-2-7-8(3-6)12-5-11-7/h1-3H,5H2

1,3-Benzodioxol-5-yl isocyanate - Physico-chemical Properties

Molecular Formula	C8H5NO3
Molar Mass	163.13
Density	1.36±0.1 g/cm3(Predicted)
Melting Point	48-51°C(lit.)
Boling Point	265.6±29.0 °C(Predicted)
Flash Point	>230°F
Vapor Presure	0.0091mmHg at 25°C
Storage Condition	2-8°C
Refractive Index	1.603

1,3-Benzodioxol-5-yl isocyanate - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
UN IDs	UN 3335
WGK Germany	3
HS Code	29329990
Hazard Class	IRRITANT, TOXIC

1,3-Benzodioxol-5-yl isocyanate - Introduction

3,4-(Methylenedioxy)phenyl isocyanate is an organic compound with the chemical formula C9H7NO3. Its nature is as follows:

1. Appearance: 3,4-(Methylenedioxy)phenyl isocyanate is a colorless to light yellow liquid.

2. Melting point: about 5-8°C.

3. Boiling point: about 130-135°C.

4. density: about 1.18 g/cm.

5. Solubility: 3,4-(Methylenedioxy)phenyl isocyanate is soluble in many organic solvents, such as ethanol and dimethyl ether.
The main uses of the
3,4-(Methylenedioxy)phenyl isocyanate are as follows:

1. As a synthetic drug intermediate: It can be used to synthesize many biologically active compounds, such as drugs and pesticides.

2. for the synthesis of polyurethane resin: it can be used as a raw material for polyurethane resin, used in the preparation of coatings, glue, elastomers and other products.

The preparation of 3,4-(Methylenedioxy)phenyl isocyanate is generally carried out by the following steps:

1.3,4-dihydroxybenzaldehyde reacts with hydrogen bromide to generate 3,4-dibromobenzaldehyde.

2. reacting 3,4-dibromobenzaldehyde with methyl carbamate to generate methyl 3,4-(methylenedioxy) phenylcarbamate.

3. Finally, methyl 3,4-(methylenedioxy) phenylcarbamate is reacted with sodium cyanide to generate 3,4-(Methylenedioxy)phenyl isocyanate.

Regarding safety information, 3,4-(Methylenedioxy)phenyl isocyanate is an organic compound, and the following precautions should be observed during use:

1. Precautions: Personal protective equipment such as protective glasses, gloves and protective clothing should be worn during use to ensure good ventilation.

2. Avoid contact: Avoid contact with skin, eyes and respiratory tract. In case of contact, rinse immediately with plenty of water and seek medical help.

3. storage method: store it in a cool, dry, well-ventilated place, away from fire and oxidant.

4. toxicity: 3,4-(Methylenedioxy)phenyl isocyanate has certain toxicity, may cause irritation and damage to human body, should pay attention to safe use.

Please note that the use of any chemical substance should follow the correct laboratory operation and personal protective measures, and operate in accordance with relevant regulations and safety guidelines.

Last Update：2024-04-09 21:21:28