3012-37-1
Product Name:
Benzyl thiocyanate
Formula:
C8H7NS
Synonyms:
Benzyl rhodanide;Benzyl thiocyanate;Thiocyanic acid benzyl ester, Benzyl rhodanide
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 41 - 42 °C |
LogP | 1.99 |
Kovats Retention Index | 1339 1313 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 149.21 g/mol |
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XLogP3 | 2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 149.02992040 g/mol |
Monoisotopic Mass | 149.02992040 g/mol |
Topological Polar Surface Area | 49.1 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 129 |
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
Benzyl thiocyanate is a member of thiocyanates.