247189

4-Methoxyphenyl isothiocyanate

98%

• Linear Formula: CH₃OC₆H₄NCS
• CAS Number: 2284-20-0
• Molecular Weight: 165.21
• Beilstein: 606967
• EC Number: 218-921-3
• MDL number: MFCD00011676
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854857
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: liquid
• refractive index: n20/D 1.653 (lit.)
• bp: 280-281 °C (lit.)
• mp: 18 °C (lit.)
• density: 1.196 g/mL at 25 °C (lit.)
• functional group: isothiocyanate
• SMILES string: COc1ccc(cc1)N=C=S
• InChI: 1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3
• InChI key: VRPQCVLBOZOYCG-UHFFFAOYSA-N

Description

Application

4-Methoxyphenyl isothiocyanate has been used in the synthesis of:

• 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one
• 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides

Safety Information

• Pictograms: GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H314,H317,H334
• Precautionary Statements: P261 - P272 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 228.2 °F - closed cup
• Flash Point(C): 109 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves