ChemicalBook--->CAS DataBase List--->38661-72-2

38661-72-2

38661-72-2 Structure

38661-72-2 Structure
IdentificationBack Directory
[Name]

1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE
[CAS]

38661-72-2
[Synonyms]

1,3-bis(isocyanatomethyl)-cyclohexan
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE
CYCLOHEXANE,1,3-BIS(ISOCYANATOMETHYL)-
1,3-Bis(isocyanatoMethyl)cyclohexane 
H6XDI/ 1,3-Bis(isocyanatomethyl)cyclohexane
1,3-Cyclohexanediylbis(methylene)diisocyanate
(1,3-Cyclohexanediylbismethylene)bisisocyanate
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANEPRE-POLYMER
[(Cyclohexane-1,3-diyl)bismethylene]diisocyanate
[(1,3-Cyclohexanediyl)bismethylene]bisisocyanate
[(Cyclohexane-1,3-diyl)bismethylene]bisisocyanate
1,3-Bis(isocyanatomethyl)cyclohexane (mixt. cis & trans)
1,3-Bis(isocyanatomethyl)cyclohexane (cis and trans- mixture)
1,3-Bis(isocyanatomethyl)cyclohexane (cis- and trans- mixture)>
1,3-Bis(isocyanatomethyl)cyclohexane mixture of cis and trans, 99%
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE (CIS- AND TRANS- MIXTURE) 98+%
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, 99 % (MIXTURE OF CIS AND TRANS)
1,3-Bis(isocyanatomethyl)cyclohexane (cis- and trans- mixture)
[EINECS(EC#)]

609-567-4
[Molecular Formula]

C10H14N2O2
[MDL Number]

MFCD00129947
[MOL File]

38661-72-2.mol
[Molecular Weight]

194.23
Chemical PropertiesBack Directory
[Boiling point ]

294.4±13.0 °C(Predicted)
[density ]

1.101 g/mL at 25 °C(lit.)
[vapor pressure ]

0.4 mm Hg ( 98 °C)
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

>230 °F
[storage temp. ]

0-10°C
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Cosmetics Ingredients Functions]

NOT REPORTED
[InChI]

1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2
[InChIKey]

XSCLFFBWRKTMTE-UHFFFAOYSA-N
[SMILES]

O=C=NCC1CCCC(CN=C=O)C1
[LogP]

3.92 at 25℃ and pH7
[EPA Substance Registry System]

1,3-Bis(methylisocyanate)cyclohexane (38661-72-2)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

23-26-36/37/39-45
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Dam. 1
Resp. Sens. 1
Skin Corr. 1C
Skin Sens. 1A
Hazard InformationBack Directory
[Uses]

1,??3-??Bis(isocyanatomethyl??)??cyclohexane (Mixture of Cis and Trans) is a reactant used in the synthesis of ionic polyurethanes as a family of poly(ionic) liquids which efficiently can capture CO2 in an effort to curb emissions.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.
[Reactivity Profile]

Isocyanates and thioisocyanates, such as 1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE(38661-72-2)FT-IR
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE(38661-72-2)IR
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