CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid with disagreeable odour |
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Boiling Point | 203.00 to 205.00 °C. @ 760.00 mm Hg |
Density | 1.040-1.045 |
Refractive Index | 1.568-1.570 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation 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. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 138.23 g/mol |
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XLogP3 | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 138.05032149 g/mol |
Monoisotopic Mass | 138.05032149 g/mol |
Topological Polar Surface Area | 1 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 80.6 |
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
2-Ethylbenzenethiol is a thiol.