Skip to Content
Merck
All Photos(2)

Documents

511978

Sigma-Aldrich

3,4-(Methylenedioxy)phenyl isocyanate

98%

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Empirical Formula (Hill Notation):
C8H5NO3
CAS Number:
69922-28-7
Molecular Weight:
163.13
MDL number:
MFCD01863692
UNSPSC Code:
12352100
PubChem Substance ID:
24873596
NACRES:
NA.22

Assay

98%

mp

48-51 °C (lit.)

storage temp.

2-8°C

SMILES string

O=C=Nc1ccc2OCOc2c1

InChI

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

InChI key

GTTXYMVUACJZRG-UHFFFAOYSA-N

Related Categories

General description

3,4-(Methylenedioxy)phenyl isocyanate, an aryl isocyanate, is also known as 5-isocyanato-1,3-benzodioxole.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service