Grundinformationen
- Standard-SMILES
O=C=NCC1CCC(CN=C=O)CC1- InChIKey
ROHUXHMNZLHBSF-UHFFFAOYSA-N- Summenformel
- C10H14N2O2
- Durchschnittliche Molmasse
- 194,23 g/mol
- Monoisotopische Masse
- 194,10552769
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Bis(isocyanatomethyl)cyclohexane
- IUPAC
- 1,4-bis(isocyanatomethyl)cyclohexane
- Lokaler Name
- 1,4-Bis(isocyanatomethyl)cyclohexan
- Englischer Name
- 1,4-bis(isocyanatomethyl)cyclohexane
- Summenformel
- C10H14N2O2
- Molmasse
- 194.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
10347-54-3、98458-83-4- PubChem CID
- 61504
- DTXSID
DTXSID2065046- EC Number
- 233-757-2、825-609-6
- Nikkaji
- J173.799F、J3.483.313C、J3.676.225J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 229
Physikochemische Eigenschaften
- Siedepunkt
- 294 ℃ · 294℃
- Dichte
- 1.14 · 1.14
- Flammpunkt
- 119 ℃ · 119℃
- EPA chemische Informationen
- 1 · 1,4-Bis(isocyanatomethyl)cyclohexane (10347-54-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P331, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Reactivity Profile
Isocyanates and thioisocyanates, such as 1,4-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)].
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Sicherheit und Schutzausrüstung
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
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