410950

Trimethyl-1,6-diisocyanatohexane, mixture of 2,2,4- and 2,4,4-isomers

99%

• Synonym(s): 1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane, 2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate
• Empirical Formula (Hill Notation): C₁₁H₁₈N₂O₂
• CAS Number: 1196157-73-9
• Molecular Weight: 210.27
• MDL number: MFCD00192539
• UNSPSC Code: 12162002
• PubChem Substance ID: 24865717

Properties

• assay: 99%
• refractive index: n20/D 1.462 (lit.)
• bp: 149 °C (lit.)
• density: 1.012 g/mL at 25 °C (lit.)
• SMILES string: CC(CCN=C=O)CC(C)(C)CN=C=O.CC(CN=C=O)CC(C)(C)CCN=C=O
• InChI: 1S/2C11H18N2O2/c1-10(7-13-9-15)6-11(2,3)4-5-12-8-14;1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h2*10H,4-7H2,1-3H3
• InChI key: XLRHAAFCQUDHHF-UHFFFAOYSA-N

Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H302,H317,H330,H334
• pcodes: P260 - P264 - P280 - P301 + P312 - P302 + P352 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 4 Oral - Resp. Sens. 1 - Skin Sens. 1
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: >235.4 °F
• flash_point_c: > 113 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter