CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | 1,2,3-benzotriazole appears as white to light tan crystals or white powder. No odor. (NTP, 1992) |
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Color/Form | Needles from chloroform or benzene |
Odor | No odor |
Boiling Point | 399 °F at 15 mmHg (NTP, 1992) |
Melting Point | 208 to 212 °F (NTP, 1992) |
Flash Point | 170 °C (338 °F) - closed cup |
Solubility | 1 to 5 mg/mL at 74.7 °F (NTP, 1992) |
Density | 1.36 g/cu cm at 20 °C |
Vapor Density | 4.1 (Air = 1) |
Vapor Pressure | Vapor pressure: <0.01 kPa at 25 °C |
LogP | log Kow= 1.44 |
Autoignition Temperature | 210 °C |
Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx). |
pH | The solution in water is a weak acid |
Dissociation Constants | pKa = 8.37 at 20 °C |
Collision Cross Section | 118.3 Ų [M-H]- 122.42 Ų [M+H]+ |
Kovats Retention Index | 1469 |
Other Experimental Properties | Can exist in 2 tautomeric forms |
Chemical Classes | Nitrogen Compounds -> Triazoles |
COMPUTED DESCRIPTORS
Molecular Weight | 119.12 g/mol |
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XLogP3 | 1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
Exact Mass | 119.048347172 g/mol |
Monoisotopic Mass | 119.048347172 g/mol |
Topological Polar Surface Area | 41.6 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 92.5 |
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
1,2,3-benzotriazole appears as white to light tan crystals or white powder. No odor. (NTP, 1992)