592-82-5
Product Name:
Butyl isothiocyanate
Formula:
C5H9NS
Synonyms:
Benzyl ITC;Butyl isothiocyanate;Butyl ITC;NSC 194808
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellowish liquid; Strong irritating green aroma |
|---|---|
| Boiling Point | 168.00 °C. @ 760.00 mm Hg |
| Solubility | Insoluble in water |
| Density | 0.952-0.958 |
| LogP | 2.92 |
| Refractive Index | 1.492-1.498 |
| Kovats Retention Index | 975 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 115.20 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 115.04557046 g/mol |
| Monoisotopic Mass | 115.04557046 g/mol |
| Topological Polar Surface Area | 44.4 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 74.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Butyl isothiocyanate is an isothiocyanate having a butyl group attached to the nitrogen. It has a role as a hapten.