8.18739

3-Methylphenyl isothiocyanate

for synthesis

• Synonym(s): 3-Methylphenyl isothiocyanate, 3-Tolyl isothiocyanate, Isothiocyanic acid 3-methylphenyl ester
• Linear Formula: 3-(CH₃)C₆H₄NCS
• CAS Number: 621-30-7
• Molecular Weight: 149.21
• MDL number: MFCD00004807
• UNSPSC Code: 12352118
• EC Index Number: 210-677-6

Properties

• Quality Level: 200
• Assay: ≥99.0% (GC)
• form: liquid
• bp: 243 °C/1013 hPa
• transition temp: flash point 106 °C
• density: 1.10 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
• InChI key: BDPQUWSFKCFOST-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.098 - 1.102
Identity (IR): passes test

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312 + H332 - H315 - H319 - H335
• Precautionary Statements: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 222.8 °F - closed cup
• Flash Point(C): 106 °C - closed cup