8.07028

Phenyl isothiocyanate

for synthesis

• Synonym(s): Phenyl isothiocyanate, Isothiocyanic acid phenyl ester, PTC
• Empirical Formula (Hill Notation): C₇H₅NS
• CAS Number: 103-72-0
• Molecular Weight: 135.19
• MDL number: MFCD00004798
• UNSPSC Code: 12352118
• EC Index Number: 203-138-1
• NACRES: NA.22

Properties

• vapor pressure: 10 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥98.0% (GC)
• form: liquid
• potency: 157 mg/kg LD₅₀, oral (Rat)
• bp: 221 °C/1013 hPa
• mp: -21 °C
• transition temp: flash point 87 °C
• density: 1.13 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
• InChI key: QKFJKGMPGYROCL-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.132 - 1.135
Identity (IR): passes test

Safety Information

• Pictograms: GHS05,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H301 - H314 - H317 - H334
• Precautionary Statements: P261 - P272 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class Code: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): 190.4 °F - closed cup
• Flash Point(C): 88 °C - closed cup