CAS 13250-46-9|Acetyl isothiocyanate
| Common Name | Acetyl isothiocyanate | ||
|---|---|---|---|
| CAS Number | 13250-46-9 | Molecular Weight | 101.12700 |
| Density | 1.12g/cm3 | Boiling Point | 132.5ºC at 760mmHg |
| Molecular Formula | C3H3NOS | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 33.9ºC |
| Symbol | GHS06, GHS08 | Signal Word | Danger |
Names
| Name | acetyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.12g/cm3 |
|---|---|
| Boiling Point | 132.5ºC at 760mmHg |
| Molecular Formula | C3H3NOS |
| Molecular Weight | 101.12700 |
| Flash Point | 33.9ºC |
| Exact Mass | 100.99400 |
| PSA | 61.52000 |
| LogP | 0.63570 |
| Vapour Pressure | 8.84mmHg at 25°C |
| Index of Refraction | n20/D 1.532 |
| InChIKey | VITFJKNVGRZRKB-UHFFFAOYSA-N |
| SMILES | CC(=O)N=C=S |
Safety Information
| Symbol | GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 + H311 + H331-H315-H319-H334-H335 |
| Supplemental HS | Reacts violently with water. |
| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T: Toxic; |
| Risk Phrases | R14 |
| Safety Phrases | S23 |
| RIDADR | UN 2810 6.1/PG 2 |
| HS Code | 2930909090 |
Customs
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
Articles3
More Articles| Ab initio study of the barriers to methyl torsion and torsional frequencies of acetyl molecules. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 61(7) , 1471-7, (2005) A wide range of ab initio and hybrid density functional methods and basis sets have been employed to calculate the barriers to methyl internal rotation in a range of molecules with the acetyl moiety. ... | |
| Stimulation of the chemosensory TRPA1 cation channel by volatile toxic substances promotes cell survival of small cell lung cancer cells. Biochem. Pharmacol. 85(3) , 426-38, (2013) TRPA1, a member of the transient receptor potential (TRP) family of cation channels, has mainly been characterized as a chemosensory protein in neuronal cells. TRPA1 is activated by toxic or irritatin... | |
| Chemical carboxy-terminal sequence analysis of peptides using acetyl isothiocyanate. Anal. Biochem. 252(1) , 169-76, (1997) A new derivatizing reagent, acetyl isothiocyanate (AITC), is applied for C-terminal peptide sequencing. It has been successfully used to sequence six C-terminal residues of a synthetic peptide at low ... |
Synonyms
| ethanoyl isothiocyanate |
| acyl isothiocyanate |
| Acetylthiocarbimid |
| Acetylisothiocyanat |
| Aitc cpd |
| N-acetyl isothiocyanate |
