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| CAS No.: | 7517-76-2 |
|---|---|
| Name: | TRANS-1,4-CYCLOHEXANE DIISOCYANATE |
| Molecular Structure: | |
|
|
|
| Formula: | C8H10 N2 O2 |
| Molecular Weight: | 166.18 |
| 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 |
| Density: | 1.21g/cm3 |
| Melting Point: |
59-62 °C(lit.) |
| Boiling Point: | 145-146°C 32mm |
| Flash Point: | 145-146°C/32mm |
| Solubility: | Hydrolyzes in water. |
| Hazard Symbols: | 2804862 |
| Risk Codes: | R23/24/25; R34; R42/43 |
| Safety: | A poison by inhalation. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 58.86000 |
| LogP: | 0.96920 |
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- 99170-93-1N-Methyl-2-oxazolamine
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 124-38-9
carbon dioxide
- 2615-25-0
trans-1,4-cyclohexyldiamine
- 7517-76-2
trans-1,4-cyclohexane diisocyanate
| 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
| 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..].
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane Addition; Heating; | 23% |
- 7517-76-2
trans-1,4-cyclohexane diisocyanate
- 117011-70-8
2-(4-aminophenoxy)-2-methyl propionic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran; water Reflux; |
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine at 20℃; |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; N,N-dimethyl acetamide; ethyl acetate at 120℃; for 0.25h; Temperature; |
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Chemistry
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: 17.71×10-24 cm3
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
Toxicity Data With Reference
| 1. | 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 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A poison by inhalation. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes: 
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
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.