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487414

Sigma-Aldrich

3-Methylbenzyl isocyanate

98%

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About This Item

Linear Formula:
CH3C6H4CH2NCO
CAS Number:
61924-25-2
Molecular Weight:
147.17
MDL number:
MFCD00673059
UNSPSC Code:
12352100
PubChem Substance ID:
24872271
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.523 (lit.)

bp

34-36 °C/0.1 mmHg (lit.)

density

1.052 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1cccc(CN=C=O)c1

InChI

1S/C9H9NO/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3

InChI key

JCUQBSLBFAVVOS-UHFFFAOYSA-N

General description

3-Methylbenzyl isocyanate, also known as 1-(isocyanatomethyl)-3-methylbenzene, is an organic building block containing an isocyanate group. Its vapor pressure has been reported.

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

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

No data available

Flash Point(C)

No data available

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’.

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Yaws CL
The Yaws Handbook of Vapor Pressure: Antoine coefficients , 77-77 (2015)

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