Acetyl isothiocyanate

Modify Date: 2024-01-14 09:28:19

Acetyl isothiocyanate Structure
Acetyl isothiocyanate structure
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 N/A
MSDS Chinese USA Flash Point 33.9ºC
Symbol GHS06 GHS08
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

 Safety Information

Symbol GHS06 GHS08
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

 Synthetic Route

 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