Product Name

  • Name

    1,3,5-tris(6-isocyanatohexyl)biuret

  • EINECS
  • CAS No. 4035-89-6
  • Density 1.13g/cm3
  • Solubility
  • Melting Point
  • Formula C23H38 N6 O5
  • Boiling Point °Cat760mmHg
  • Molecular Weight 478.592
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety A poison by inhalation. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 4035-89-6 (1,3,5-tris(6-isocyanatohexyl)biuret)
  • Hazard Symbols
  • Synonyms Isocyanicacid, triester with 1,3,5-tris(6-hydroxyhexyl)biuret (7CI,8CI); Biuret,1,3,5-tris(6-hydroxyhexyl)-, triisocyanate (ester) (8CI);1,3,5-Tris(6-hydroxyhexyl)biuret triisocyanate;1,3,5-Tris(6-isocyanatohexyl)biuret; HDI biuret; HMDI biuret; Hexamethylenediisocyanate biuret; Hexamethylene diisocyanate biuret trimer;N,N',N''-Tris(6-isocyanatohexyl)biuret;N-Bis(6-isocyanatohexamethylenecarbamoyl)-6-aminohexamethylene isocyanate;Tris(6-isocyanatohexyl)biuret
  • PSA 149.73000
  • LogP 4.17800

Tris(isocyanatohexyl)biuret Chemical Properties

IUPAC Name: 1,3-Bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
CAS: 4035-89-6
EINECS: 223-718-8
Following is the Molecular Structure of Tris(isocyanatohexyl)biuret (4035-89-6):

SMILES: O=C=N/CCCCCCNC(=O)N(C(=O)NCCCCCC/N=C=O)CCCCCC/N=C=O
InChI: InChI=1/C23H38N6O5/c30-19-24-13-7-1-3-10-16-27-22(33)29(18-12-6-5-9-15-26-21-32)23(34)28-17-11-4-2-8-14-25-20-31/h1-18H2,(H,27,33)(H,28,34)
InChIKey: QKOWXXDOHMJOMQ-UHFFFAOYAC
Std. InChI: InChI=1S/C23H38N6O5/c30-19-24-13-7-1-3-10-16-27-22(33)29(18-12-6-5-9-15-26-21-32)23(34)28-17-11-4-2-8-14-25-20-31/h1-18H2,(H,27,33)(H,28,34)
Std. InChIKey: QKOWXXDOHMJOMQ-UHFFFAOYSA-N
Molecular Formula: C23H38N6O5
Molecular Weight: 478.58502
Molar Volume: 423.2cm3
Density: 1.13g/cm3
Index of Refraction: 1.536
Molar Refractivity: 132.03cm3
Surface Tension: 46.2dyne/cm
Polarizability: 52.34 10-24cm3

Tris(isocyanatohexyl)biuret Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 91mg/m3/4H (91mg/m3) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Toxicology and Applied Pharmacology. Vol. 64, Pg. 423, 1982.
rabbit LD skin > 15800mg/kg (15800mg/kg)   National Technical Information Service. Vol. OTS0528545,
rat LD50 oral 19800mg/kg (19800mg/kg)   National Technical Information Service. Vol. OTS0528545,

Tris(isocyanatohexyl)biuret Consensus Reports

Reported in EPA TSCA Inventory.

Tris(isocyanatohexyl)biuret Safety Profile

RIDADR: 2281
HazardClass: 6.1(a)
PackingGroup: II
This chemical is a poison by inhalation.

Tris(isocyanatohexyl)biuret Specification

 Tris(isocyanatohexyl)biuret (4035-89-6) also can be called for 1,3,5-Tris(6-isocyanatohexyl)biuret ; Imidodicarbonic diamide,n,n,2-tris(6-isocyanatohexyl)- ; Biuretmodifiedhexamethylenediisocyanate ; Tris(isocyanatohexyl)biuret ; Hdibiuret ; Hexamethylenediisocyanatebiurettrimer ; Trimerichexamethylenediisocyanatebiuret .When Tris(isocyanatohexyl)biuret (4035-89-6) was heated,it emits toxic vapors of NOx .

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