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Sigma-Aldrich

3,4-(Methylenedioxy)phenyl isocyanate

98%

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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

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)

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