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Home All Chemicals 3-Methylbenzyl isothiocyanate

3-Methylbenzyl isothiocyanate

CAS#[3696-66-0]
G-codeGEO-02500
Molecular formulaC9H9NS
Molecular weight163.24
Structure of 3-Methylbenzyl isothiocyanate

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Structural identification

CAS#[3696-66-0]
G-codeGEO-02500
SMILESCC1=CC(CN=C=S)=CC=C1
InChIInChI=1S/C9H9NS/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3
InChI KeyInChIKey=NUXFAFWRXGFTQJ-UHFFFAOYSA-N
Download structure as .mol

Regulatory Information

Not regulated as a dangerous good.

GHS pictogram
GHS07_harmful
Signal WordWarning
Hazard Statements
H315 - H319 - H335

H315 – Causes skin irritation
H319 – Causes serious eye irritation
H335 – May cause respiratory irritation

Precautionary Statements
P261 - P280 - P302+352 - P305+351+338

P261 – Avoid breathing dust/fume/gas/mist/vapours/spray:
P280 – Wear protective gloves/protective clothing/eye protection/face protection:
P302+352 – IF ON SKIN: Wash with soap and water
P305+351+338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing

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