Trimethylhexamethylene diisocyanate

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Product Information

Molecular Formula:
C11H18N2O2
Molecular Weight:
210.27
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.
Synonyms
Hexane, 1,6-diisocyanatotrimethyl-; 1,6-Diisocyanatotrimethylhexane; TCI-T 1176; Trimethyl HDI; Trimethyl-1,6-hexamethylene diisocyanate; Trimethylhexamethylene isocyanate
IUPAC Name
1,6-diisocyanato-5,6-dimethylheptane
Canonical SMILES
CC(CCCCN=C=O)C(C)(C)N=C=O
InChI
InChI=1S/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3
InChI Key
VZXPHDGHQXLXJC-UHFFFAOYSA-N
Purity
95%
Appearance
Colorless liquid
Storage
Store at 2-8°C
Refractive Index
1.46

Safety Information

Hazards
H301+H311+H331:
Toxic if swallowed.
Toxic in contact with skin.
Toxic if inhaled.
H317:
May cause an allergic skin reaction.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P311:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician.
P342+P311:
If experiencing respiratory symptoms:
Call a POISON CENTER or doctor/physician.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.

Computed Properties

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
58.9Ų
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

Patents

Publication Number Title Priority Date
CN-113956486-A Long-chain branched polylactic acid-based copolymer and preparation method thereof 2021-11-11
CN-113427867-A Multilayer heat-resistant high-transparency degradable polylactic acid-based film 2021-08-16
CN-113561604-A Polylactic acid-based multifunctional multilayer composite agricultural mulching film and preparation method thereof 2021-08-16
CN-112920359-A Synthesis method and application of copolymerization type polycarbodiimide 2021-01-22
JP-2021059117-A Primer composition and aqueous solution using it, base film with primer layer and prism sheet 2021-01-04
KR-102269846-B1 Optical Laminate, Hard Coating Film and Image Display Device Having the Same 2020-12-31
CN-114185118-A Hard coat film and image display device having the same 2020-09-14
KR-102321084-B1 Hard Coating Film and Image Display Device Having the Same 2020-09-14
US-2022081524-A1 Hard coating film and image display device having the same 2020-09-14
JP-2022035790-A Recycled thermal transfer system, recycled polyvinyl alcohol resin film, decorative film for thermal transfer and transfer molded products 2020-08-21

Literatures

PMID Publication Date Title Journal
21374573 2011-02-01 Characterization of multiblock copolymers by chromatographic techniques The International journal of artificial organs
20057942 2009-11-20 Recent advances in synthetic bioelastomers International journal of molecular sciences
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Calculate
The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

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