1,3-Bis(isocyanatomethyl)cyclohexane
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Grundinformationen
- CAS
38661-72-2- Standard-SMILES
O=C=NCC1CCCC(CN=C=O)C1- InChIKey
XSCLFFBWRKTMTE-UHFFFAOYSA-N- Summenformel
- C10H14N2O2
- Durchschnittliche Molmasse
- 194,23 g/mol
- Monoisotopische Masse
- 194,10552769
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Bis(isocyanatomethyl)cyclohexane
- IUPAC
- 1,3-bis(isocyanatomethyl)cyclohexane
- Englischer Name
- 1,3-Bis(isocyanatomethyl)cyclohexane
- Summenformel
- C10H14N2O2
- Molmasse
- 194.23
Namen und Synonyme
1,3-Bis(isocyanatomethyl)cyclohexane38661-72-21,3-Bis(methylisocyanate)cyclohexaneDTXSID6044933Cyclohexane, 1,3-bis(isocyanatomethyl)-EYM450423GDTXCID4024933J173.798HRefChem:4140371,3-bis(NCOMe)cyclohexane609-567-4UNII-EYM450423G
Weitere Namen anzeigen
1,3-bis(isocyanatomethyl)-cyclohexanCYCLOHEXANE,1,3-BIS(ISOCYANATOMETHYL)-? 1,3-bis(isocyanate-methyl)cyclohexane,1,3-Bis(isocyanatoMethyl)cyclohexane H6XDI/ 1,3-Bis(isocyanatomethyl)cyclohexane1,3-Cyclohexanediylbis(methylene)diisocyanate(1,3-Cyclohexanediylbismethylene)bisisocyanate1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANEPRE-POLYMER[(1,3-Cyclohexanediyl)bismethylene]bisisocyanate
13-bis(isocyanatomethyl)cyclohexaneMFCD0012994775138-76-0Takenate 6001,3-Bis(methylisocyanate)cyclohexane [Diisocyanates][3-(isocyanatomethyl)cyclohexyl]methanisocyanateISOCYANIC ACID, CYCLOHEXANE-1,3-DIYLDIMETHYLENEDI-SCHEMBL43488
Datenbank-Bezeichner
- CAS
38661-72-2、75138-76-0- PubChem CID
- 53172
- DTXSID
DTXSID6044933- ChEMBL
CHEMBL3184736- EC Number
- 609-567-4
- Nikkaji
- J173.798H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 239
Experimentelle und physikochemische Eigenschaften
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physikochemische Eigenschaften
- Siedepunkt
- 294.4 · 294.4±13.0 °C(Predicted)
- Dichte
- 1.101 g/mL · 1.101 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.4 mm · 0.4 mm Hg ( 98 °C)
- Brechungsindex
- 20 · n20/D 1.485(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 0 · 0-10°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- 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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexane, 1,3-bis(isocyanatomethyl)-
Status: Active Update: 13-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/27064
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Reactive GroupIsocyanates and Isothiocyanates
Reactivity Profile
Isocyanates and thioisocyanates, such as 1,3-BIS(METHYLISOCYANATE)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)].
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationCyclohexane, 1,3-bis(isocyanatomethyl)-: ACTIVE
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