CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Trimethylhexamethylene diisocyanate appears as a colorless liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals. |
|---|---|
| Vapor Density | 7.3 (USCG, 1999) - Heavier than air; will sink (Relative to Air) |
COMPUTED DESCRIPTORS
| Molecular Weight | 210.27 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 210.136827821 g/mol |
| Monoisotopic Mass | 210.136827821 g/mol |
| Topological Polar Surface Area | 58.9 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 274 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Trimethylhexamethylene diisocyanate appears as a colorless liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.