4044-65-9
Product Name:
1,4-PHENYLENE DIISOTHIOCYANATE
Formula:
C8H4N2S2
Synonyms:
1,4-Diisothiocyanatobenzene;Bitoscanate;PDITC
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Bitoscanate appears as odorless colorless crystals. Melting point 132 °C. |
|---|---|
| Color/Form | Colorless needles |
| Odor | Odorless |
| Taste | Tasteless |
| Melting Point | 270 °F (EPA, 1998) |
| Solubility | Practically insoluble in water. Sol in alcohol, chloroform. |
| Vapor Pressure | 6.2X10-5 mm Hg at 25 °C /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.13X10-4 atm-cu m/mole at 25 °C /Estimated/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen cyanide, nitrogen and sulfur oxides/. |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.3X10-12 cu cm/molec-sec at 25 °C /Estimated/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 192.3 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 191.98159048 g/mol |
| Monoisotopic Mass | 191.98159048 g/mol |
| Topological Polar Surface Area | 88.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 205 |
| 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
Bitoscanate appears as odorless colorless crystals. Melting point 132 °C.