4891-66-1
Product Name:
2 4-TOLYLENE DIISOTHIOCYANATE 97
Formula:
C9H6N2S2
Synonyms:
2,4-Toluene diisothiocyanate;4-Methyl-1,3-phenylene diisothiocyanate
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SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 206.3 g/mol |
---|---|
XLogP3 | 5.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 205.99724055 g/mol |
Monoisotopic Mass | 205.99724055 g/mol |
Topological Polar Surface Area | 88.9 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 265 |
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
Toluene 2,4-diisothiocyanate is a toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. It has a role as a hapten.