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. |
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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 |
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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 |
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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.