Compound: 1,6-Diisocyanatohexane
SMILES: O=C=NCCCCCCN=C=O
InChIKey: RRAMGCGOFNQTLD-UHFFFAOYSA-N
Synonyms: 1,6-Diisocyanatohexane, HEXAMETHYLENE DIISOCYANATE, 822-06-0, HMDI, 1,6-Hexamethylene diisocyanate, Hexane, 1,6-diisocyanato-, Hexane 1,6-diisocyanate, 1,6-Hexylene diisocyanate, Hexamethylene-1,6-diisocyanate, hexamethylenediisocyanate, Isocyanic acid, hexamethylene ester, 1,6-Hexanediol diisocyanate, TL 78, Szesciometylenodwuizocyjanian, Metyleno-bis-fenyloizocyjanian, 1,6-hexane diisocyanate, Hexamethylendiisokyanat, DTXSID4024143, Desmodur H, Isocyanic acid, diester with 1,6-hexanediol, GMDI, 0I70A3I1UF, CHEBI:53578, NSC-11687, DTXCID004143, HDI cpd, RefChem:146078, 212-485-8, 618-151-1, HDI-IC, HDI, MFCD00002047, NSC 11687, Hexamethylene diisocyanate, 1,6-, 1,6-diisocyanato-hexane, Hexamethylene 1,6-diisocyanate, Hexamethylene-1,6-diisocyanate [Diisocyanates], 53895-37-7, CAS-822-06-0, Hexamethylendiisokyanat [Czech], HSDB 6134, EINECS 212-485-8, UN2281, hexamethylene di-isocyanate, HEXAMETHYLENE-1,6-DIISOCYANATE (DIISOCYANATES), Szesciometylenodwuizocyjanian [Polish], Metyleno-bis-fenyloizocyjanian [Polish], BRN 0956709, UNII-0I70A3I1UF, AI3-28285, CCRIS 8431, Hexane,6-diisocyanato-, 1,6-diisocyanato hexane, hexane-1,6-diisocyanate, WLN: OCN6NCO, Epitope ID:115018, EC 212-485-8, Isocyanic acid,6-hexanediol, SCHEMBL15038, 1,6-diisocyanatohexamethylene, OCN-(CH2)6-NCO, 88357-62-4, 1,6-hexamethylene-diisocyanate, 1,6-Diisocyanatohexane, 98%, GTPL6291, SCHEMBL1070434, 1,6-hexamethylene di-isocyanate, CHEMBL1896533, HEXANE,1,6-DIISOCYANATE, SCHEMBL28481235, NSC11687, Tox21_202206, Tox21_300161, MSK001029, SBB069499, STL301890, AKOS000120355, HEXAMETHYLENE DIISOCYANATE [HSDB], NCGC00164175-01, NCGC00164175-02, NCGC00164175-03, NCGC00254122-01, NCGC00259755-01, PD051392, S 90, S-90, DB-225988, H0324, NS00008899, EN300-20358, Hexamethylene diisocyanate [UN2281]  [Poison], F145100, Q418197, Hexamethylene diisocyanate, purum, >=98.0% (GC), Hexamethylene diisocyanate, puriss., >=99.0% (GC), InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H
Theoretical properties:
molecular_formula: C8H12N2O2
molecular_weight: 168.19 g/mol
exact_mass: 168.089877630 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 7
heavy_atom_count: 12
topological_polar_surface_area: 58.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Sharp, pungent odor
boiling_point: 491 °F at 760 mmHg (NTP, 1992)
melting_point: -67 °F (NTP, 1992)
density: 1.0528 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: Reacts with water (NTP, 1992)
flash_point: 284 °F (NTP, 1992)
vapor_pressure: 0.05 mmHg at 75 °F (NTP, 1992)
Descriptions:
pubchem: Hexamethylene diisocyanate is a diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group. It has a role as an allergen and a hapten.
chebi: A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hexamethylene diisocyanate (HDI) is the organic compound with the formula (CH2)6(NCO)2.  It is classified as an diisocyanate. It is a colorless liquid. It has sometimes been called HMDI but this not usually done to avoid confusion with Hydrogenated MDI.