475955

3-Methoxyphenyl isothiocyanate

98%

• Linear Formula: CH₃OC₆H₄NCS
• CAS Number: 3125-64-2
• Molecular Weight: 165.21
• MDL number: MFCD00040335
• UNSPSC Code: 12352100
• PubChem Substance ID: 24871191

Properties

• assay: 98%
• refractive index: n20/D 1.64 (lit.)
• bp: 129 °C/11 mmHg (lit.)
• density: 1.179 g/mL at 25 °C (lit.)
• SMILES string: COc1cccc(c1)N=C=S
• InChI: 1S/C8H7NOS/c1-10-8-4-2-3-7(5-8)9-6-11/h2-5H,1H3
• InChI key: WHBYCPUKGYEYFU-UHFFFAOYSA-N

Description

General description

3-Methoxyphenyl isothiocyanate, also referred as m-methoxyphenyl isothiocyanate, is an iosthiocyanate derivative.

Application

3-Methoxyphenyl isothiocyanate may be used in the synthesis of the following:

• 2-[(3-methoxyphenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• N-2 pyridyl-N′-3-methoxyphenylthioureas
• acylthiosemicarbazides

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301,H317
• pcodes: P261 - P264 - P272 - P280 - P301 + P310 - P302 + P352
• Hazard Classifications: Acute Tox. 3 Oral - Skin Sens. 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter