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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)

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

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