Phenyl isothiocyanate
ALDRICH/139742 - reagent grade, 98%
Synonym: PITC
CAS Number: 103-72-0
Empirical Formula (Hill Notation): C7H5NS
Molecular Weight: 135.19
EC Number: 203-138-1
MDL Number: MFCD00004798
Linear Formula: C6H5NCS
Product Type: Chemical
| assay | 98% |
| bp | 218 °C (lit.) |
| density | 1.132 g/mL at 20 °C (lit.) |
| form | liquid |
| grade | reagent grade |
| InChI | 1S/C7H5NS/c9-6-8-7-4-2-1- |
| InChI key | QKFJKGMPGYROCL-UHFFFAOYSA |
| mp | −21 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | S=C=Nc1ccccc1 |
| solubility | water: insoluble |
| Application: | Derivatizing reagent for primary and secondary amines. Used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC. |
| Application: | Phenyl isothiocyanate may be employed as a derivatization reagent for high-performance liquid chromatographic (HPLC) analysis of various amphetamine derivatives in body fluids for forensic purposes. Phenyl isothiocyanate (PIT) modified with polyethylene glycol (PEG), can be used as a reagent for PEGylation of protein using human serum albumin as a model protein. |
| General description: | Phenyl isothiocyanate is an aromatic isothiocyanate. It participates in dehydration reactions of alcohols. It is widely used for synthesis of various biologically important heterocyclic compounds. |
| Packaging: | 5, 100, 500 g in glass bottle |
| Symbol |    GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301 - H314 - H317 - H334 |
| Precautionary statements | P261 - P270 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | T,N |
| Risk Statements | 25-34-42/43-51/53 |
| Safety Statements | 23-26-36/37/39-45-61 |
| RIDADR | UN 2927 8(6.1) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 190.4 °F - closed cup |
| Flash Point(C) | 88 °C - closed cup |
| Purity | 98% |
| bp | 218 °C (lit.) |
| mp | −21 °C (lit.) |
| Density | 1.132 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |