Grundinformationen
- Standard-SMILES
CC(CCN=C=O)CC(C)(C)CN=C=O- InChIKey
ATOUXIOKEJWULN-UHFFFAOYSA-N- Summenformel
- C11H18N2O2
- Durchschnittliche Molmasse
- 210,27 g/mol
- Monoisotopische Masse
- 210,13682782
Überblick
2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.
Namen und Bezeichner
- Bevorzugter Name
- 1,6-Diisocyanato-2,2,4-trimethylhexane
- IUPAC
- 1,6-diisocyanato-2,2,4-trimethylhexane
- Lokaler Name
- 2,2,4-Trimethylhexamethylen-1,6-diisocyanat
- Englischer Name
- 2,2,4-trimethylhexa-1,6-diyl diisocyanate
- Summenformel
- C11H18N2O2
- Molmasse
- 210.27
Namen und Synonyme
1,6-DIISOCYANATO-2,2,4-TRIMETHYLHEXANE16938-22-02,2,4-Trimethylhexamethylene diisocyanate2,2,4-Trimethylhexa-1,6-diyl diisocyanateHexane, 1,6-diisocyanato-2,2,4-trimethyl-2,2,4-Trimethyl-1,6-diisocyanatohexaneX92D8F674PEINECS 241-001-8DTXSID00446022,2,4-trimethyl-1,6-hexamethylene diisocyanate2,2,4-TRIMETHYLHEXANE 1,6-DIISOCYANATERefChem:417587
Weitere Namen anzeigen
2,2,4-Trimethyl-1,6-diisocyanatohexane.2,2,4-Trimethylhexane-1,6-diyldiisocyanate2,2,4-Trimethyl-1,6-hexanediyldiisocyanate(2,2,4-Trimethylhexane-1,6-diyl)diisocyanate2,2,4- Trimethylcyclohexamethylen-1,6-diisocyanat
DTXCID80246021,6-DIISOCYANATO-2,2,4-TRIMETHYLHEXANE, (+-)-32052-51-0Hexane, 1,6-diisocyanato-2,2,4(or 2,4,4)-trimethyl-UNII-X92D8F674P2,2,4-TrimethylhexamethylenediisocyanateSCHEMBL37901SCHEMBL8772830
Datenbank-Bezeichner
- CAS
16938-22-0、32052-51-0- PubChem CID
- 61858
- DTXSID
DTXSID0044602- UNII
- X92D8F674P
- EC Number
- 241-001-8
- Nikkaji
- J27.138A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 274
Experimentelle und physikochemische Eigenschaften
Physical Description
2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.
Liquid
Physikochemische Eigenschaften
- Siedepunkt
- 283.8 · 283.8±23.0 °C(Predicted)
- Dichte
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- Aggregatzustand
- liquid
- EPA chemische Informationen
- 2 · 2,2,4-Trimethylhexamethylene diisocyanate (16938-22-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Hazard Traits - Respiratory Toxicity
Hexane, 1,6-diisocyanato-2,2,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-diisocyanato-2,2,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2,2,4-trimethylhexamethylene-1,6-di-isocyanate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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 AlertsWater-Reactive
Reactivity Profile
Isocyanates and thioisocyanates, such as 2,2,4-TRIMETHYLHEXAMETHYLENE DIISOCYANATE, 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)].
Air and Water ReactionsContact with water or moist air generates toxic and flammable gases (amine and CO2).
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 694,923 lb
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
Hexane, 1,6-diisocyanato-2,2,4-trimethyl-: ACTIVE
Anbieter2 Anbieter
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
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