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4-Methoxybenzyl isothiocyanate, 95%, Thermo Scientific Chemicals

Catalog No. AC413810050
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This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

CAS

3694-57-3

Molecular Formula

C9H9NOS

Molecular Weight (g/mol)

179.24

MDL Number

MFCD00041117

InChI Key

IMFQYAJJXFXVMM-UHFFFAOYSA-N

Synonym

4-methoxybenzyl isothiocyanate, 1-isothiocyanatomethyl-4-methoxybenzene, 4-methoxybenzylisothiocyanate, benzene, 1-isothiocyanatomethyl-4-methoxy, p-methoxybenzyl isothiocyanate, 1-isothiocyanatomethyl-4-methoxy-benzene, chembl81201, 4-methoxybenzyl isothiocyanate 5gr, acmc-1cq6l

PubChem CID

123197

IUPAC Name

1-(isothiocyanatomethyl)-4-methoxybenzene

SMILES

COC1=CC=C(C=C1)CN=C=S

Specifications

CAS Min %

95.0

Color

White

Density

1.0872g/mL

Boiling Point

170.0°C to 175.0°C (16.0 mmHg)

Infrared Spectrum

Authentic

Assay Percent Range

94% min. (GC)

Packaging

Glass bottle

Refractive Index

1.5910 to 1.5980

Quantity

5 g

Beilstein

13, IV, 1747

Specific Gravity

1.0872

Formula Weight

179.24

Percent Purity

95%

Physical Form

Crystalline Powder and/or Chunks

Chemical Name or Material

4-Methoxybenzyl isothiocyanate, 95%

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Hazard Category

GHS Signal Word: Warning

Hazard Statement

GHS H Statement
Harmful in contact with skin.
Causes serious eye irritation.
Harmful if swallowed.
Causes skin irritation.
Harmful if inhaled.
May cause respiratory irritation.

Precautionary Statement

GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
IF ON SKIN: Wash with plenty of soap and water.
IF SWALLOWED: rinse mouth.
Do NOT induce vomiting.
Call a POISON CENTER or doctor/physicia
SDS

RUO – Research Use Only

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