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Name	trans-1,4-Cyclohexanediisocyanate	EINECS	N/A
CAS No.	7517-76-2	Density	1.21g/cm3
PSA	58.86000	LogP	0.96920
Solubility	Hydrolyzes in water.	Melting Point	59-62 °C(lit.)
Formula	C8H10 N2 O2	Boiling Point	145-146°C 32mm
Molecular Weight	166.18	Flash Point	145-146°C/32mm
Transport Information	N/A	Appearance	N/A
Safety	A poison by inhalation. When heated to decomposition it emits toxic vapors of NO_x.	Risk Codes	R23/24/25; R34; R42/43
Molecular Structure		Hazard Symbols	2804862
Synonyms	Isocyanicacid, 1,4-cyclohexylene ester, trans- (8CI);trans-1,4-Cyclohexadiylbis(isocyanate); trans-1,4-Cyclohexanediisocyanate;trans-1,4-Cyclohexylene diisocyanate; trans-1,4-Cyclohexylene isocyanate;trans-1,4-Diisocyanatocyclohexane	Article Data	6

trans-1,4-Cyclohexanediisocyanate Synthetic route

: 124-38-9
carbon dioxide

: 2615-25-0
trans-1,4-cyclohexyldiamine

: 7517-76-2
trans-1,4-cyclohexane diisocyanate

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate 1.) acetonitrile, 1 atm., 2.) acetonitrile; Yield given. Multistep reaction;

: 3114-70-3
trans-1,4-diaminocyclohexane

: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

A: 7517-76-2
trans-1,4-cyclohexane diisocyanate

B cis-1.4-diisocyanato-cyclohexane: cis-1.4-diisocyanato-cyclohexane

Conditions

Conditions	Yield
With 1,2-dichloro-benzene at 95℃; und Einleiten von Phosgen in eine Suspension der erhaltenen Carbamidsaeure,zuletzt bei 160grad;

: 978-86-9
4-tritylphenol

: 7517-76-2
trans-1,4-cyclohexane diisocyanate

: 169179-44-6
11'-(tert-butyl)-5',17',23',35',38',40'43',45'-octamethyldispiro[cyclohexane-1,2'-[7,15,25,33]tetraazaheptacyclo[32.2.2.2.2(3,6).2(16,19).2(21,24).1(3,13).1(27,31)]hexatetraconta[3,5,9,11,13(44),16,18,21,23,27,29,31(39),34,36,37,40,42,45]octadecaene..].

: C64H72N4O4*C58H50N2O4

Conditions

Conditions	Yield
With triethylamine In dichloromethane Addition; Heating;	23%

: 462-08-8
pyridin-3-ylamine

: 7517-76-2
trans-1,4-cyclohexane diisocyanate

: 1-pyridin-3-yl-3-[4-(3-pyridin-3-yl-ureido)-cyclohexyl]-urea

: 7517-76-2
trans-1,4-cyclohexane diisocyanate

: 117011-70-8
2-(4-aminophenoxy)-2-methyl propionic acid

: C28H36N4O8

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water Reflux;

: C32H43N5O5

: 7517-76-2
trans-1,4-cyclohexane diisocyanate

: C72H96N12O12

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine at 20℃;

: 51-45-6
histamine

: 7517-76-2
trans-1,4-cyclohexane diisocyanate

: 1,1'-((1r,4r)-cyclohexane-1,4-diyl)bis(3-(2-(1H-imidazol-4-yl)ethyl)urea)

Conditions

Conditions	Yield
In tetrahydrofuran; N,N-dimethyl acetamide; ethyl acetate at 120℃; for 0.25h; Temperature;

trans-1,4-Cyclohexanediisocyanate Chemical Properties

Molecule structure of trans-1,4-Cyclohexanediisocyanate (CAS NO.7517-76-2) :

IUPAC Name: 1,4-diisocyanatocyclohexane
Molecular Weight: 166.1772 g/mol
Molecular Formula: C₈H₁₀N₂O₂
Density: 1.21 g/cm³
Melting Point: 59-62 °C(lit.)
Boiling Point: 241 °C at 760 mmHg
Flash Point: 94.7 °C
Index of Refraction: 1.567
Molar Refractivity: 44.67 cm³
Molar Volume: 136.7 cm³
Polarizability: 17.71×10^-24cm³
Surface Tension: 47.6 dyne/cm
Enthalpy of Vaporization: 47.79 kJ/mol
Vapour Pressure: 0.0368 mmHg at 25 °C
Sensitive: moisture sensitive
XLogP3-AA: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 166.074228
MonoIsotopic Mass: 166.074228
Topological Polar Surface Area: 58.9
Heavy Atom Count: 12
Complexity: 205
Canonical SMILES: C1CC(CCC1N=C=O)N=C=O
InChI: InChI=1S/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2
InChIKey: CDMDQYCEEKCBGR-UHFFFAOYSA-N
Product Categories: Isocyanate Monomers; Monomers; Polymer Science

trans-1,4-Cyclohexanediisocyanate Toxicity Data With Reference

ihl-rat LCLo:90 mg/m3/4H

NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0543429 .

trans-1,4-Cyclohexanediisocyanate Consensus Reports

Reported in EPA TSCA Inventory.

trans-1,4-Cyclohexanediisocyanate Safety Profile

A poison by inhalation. When heated to decomposition it emits toxic vapors of NO_x.
Hazard Codes: Toxic T
Risk Statements: 23/24/25-34-42/43
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R34:Causes burns.
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements: 22-26-36/37/39-45
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 1
WGK Germany: 3
RTECS: GU9642500
HazardClass: 6.1
PackingGroup: II

trans-1,4-Cyclohexanediisocyanate Specification

trans-1,4-Cyclohexanediisocyanate (CAS NO.7517-76-2) is also called H-19218 ; trans-1,4-Cyclohexyleneisocyanate ; trans-1,4-Diisocyanatocyclohexane ; Cyclohexane, 1,4-diisocyanato-, trans- ; Isocyanic acid, 1,4-cyclohexylene ester, trans- (8CI) . trans-1,4-Cyclohexanediisocyanate (CAS NO.7517-76-2) is white to cream crystalline powder.

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