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| CAS No.: | 38661-72-2 |
|---|---|
| Name: | 1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE |
| Article Data: | 13 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H14N2O2 |
| Molecular Weight: | 194.233 |
| Synonyms: | 1,3-Bis(bisisocyanatomethyl)cyclohexane;1,3-Bis(isocyanatomethyl)cyclohexane;1,3-Bis(methylisocyanate)cyclohexane;1,3-Dimethylcyclohexanew,w'-diisocyanate;Isocyanic acid,1,3-cyclohexylenedimethylene ester;AC1L1EDI;CID53172;SBB061672;AKOS000120106; |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 294.4 °C at 760 mmHg |
| Flash Point: | 119.5 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 23-26-36/37/39-45 |
| Transport Information: | UN 2206 6.1/PG 3 |
| PSA: | 58.86000 |
| LogP: | 1.46440 |
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phosgene
- 2579-20-6
cis, trans-1,3-dimethylaminocyclohexane
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| Stage #1: cis, trans-1,3-dimethylaminocyclohexane With hydrogenchloride In chlorobenzene at 30 - 45℃; for 3.5h; Large scale; Stage #2: phosgene In chlorobenzene at 60℃; Large scale; | 96.5% |
| Stage #1: cis, trans-1,3-dimethylaminocyclohexane With carbon dioxide In toluene at 25 - 30℃; for 1.33333h; Stage #2: phosgene In toluene at 25 - 90℃; for 23h; | |
| Stage #1: cis, trans-1,3-dimethylaminocyclohexane With hydrogenchloride In water; toluene at 20℃; for 0.5h; Stage #2: phosgene With N,N-dimethyl-formamide In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 5h; Solvent; | |
| In 1,2-dichloro-benzene at 0 - 130℃; for 11h; Solvent; Temperature; |
B
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| With CARiACT Q50 at 150 - 375℃; under 9.976 Torr; for 0.5h; | A 11% B 84% |
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| With boron trichloride; triethylamine In benzene for 0.5h; Heating; Yield given; | |
| In methanol at 50℃; for 8.5h; | 157.2 g |
| With CARiACT Q50 at 150 - 350℃; under 9.976 Torr; for 0.5h; | 157.2 g |
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| With boron trichloride; triethylamine In benzene for 0.5h; Heating; Yield given; |
- 748708-85-2
1,3-bis(methoxycarbonylaminomethyl)cyclohexane
B
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| A 14.2 g (73.1%) B n/a |
- 2579-20-6
cis, trans-1,3-dimethylaminocyclohexane
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium methylate; water / methanol; acetone / 5.5 h / 50 °C 2: CARiACT Q50 / 0.5 h / 150 - 350 °C / 9.98 Torr View Scheme |
- 23117-36-4
1,4-cyclohexanedimethanol monoacrylate
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| With dibutyltin(II) dilaurate at 60℃; for 1.5h; | 99% |
- 2009-83-8
6-chloro-1-hexanol
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| With dibutyltin dilaurate In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 95% |
- 2038-03-1
4-(2-AMINOETHYL)MORPHOLINE
- 109-89-7
diethylamine
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
| Conditions | Yield |
|---|---|
| With p-nitrophenyl(polystyrene)ketoxime 2.) CH2Cl2; 3.) toluene, 75 deg C; Yield given. Multistep reaction; |
- 626-35-7
nitroacetic acid ethyl ester
- 38661-72-2
1,3-bis(isocyanatomethyl)-cyclohexane
- 391894-57-8
C18H28N4O10
- Total:20 Page 1 of 1 1
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Specification
The Cyclohexane,1,3-bis(isocyanatomethyl)- with CAS registry number of 38661-72-2 is also known as 1,3-Dimethylcyclohexanew,w'-diisocyanate. The IUPAC name is 1,3-Bis(isocyanatomethyl)cyclohexane. It belongs to product categories of Isocyanate Monomers; Monomers; Polymer Science. In addition, the formula is C10H14N2O2 and the molecular weight is 194.23. This chemical should be sealed in cool and dry place.
Physical properties about Cyclohexane,1,3-bis(isocyanatomethyl)- are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 3.46; (3)ACD/LogD (pH 7.4): 3.46; (4)ACD/BCF (pH 5.5): 249.22; (5)ACD/BCF (pH 7.4): 249.22; (6)ACD/KOC (pH 5.5): 1807.52; (7)ACD/KOC (pH 7.4): 1807.52; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.55; (11)Molar Refractivity: 53.89 cm3; (12)Molar Volume: 169 cm3; (13)Surface Tension: 44.4 dyne/cm; (14)Density: 1.14 g/cm3; (15)Flash Point: 119.5 °C; (16)Enthalpy of Vaporization: 53.41 kJ/mol; (17)Boiling Point: 294.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00162 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CC(CC(C1)CN=C=O)CN=C=O
2. InChI: InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2
3. InChIKey: XSCLFFBWRKTMTE-UHFFFAOYSA-N