HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,3'-Dimethylbiphenyl-4,4'-diyldiisocyanat
TODI · nacconate200 · 3,3'-DIMETHYL-4 · -diyl diisocyanate · 3,3'-Dimethyl-4,4'-b · tolidinediisocyanate · bitoluenediisocyanate · bitolylenediisocyanate
Identifikatoren & physikalische Daten
| CAS No. | 91-97-4 |
|---|---|
| Summenformel | C16H12N2O2 |
| Durchschnittliche Molmasse | 264,28 g/mol |
| Monoisotopische Masse | 264,08987762 g/mol |
| SMILES | Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
| PubChem CID | 7072 |
| EC No. | 202-112-7 |
| DTXSID | DTXSID7041463 |
| Lokaler Name | 3,3'-Dimethylbiphenyl-4,4'-diyldiisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 5,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 384 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Schmelzpunkt | 70-72°C |
| Siedepunkt | 195-197°C (667 Pa) |
| Dichte | 1.197 (80°C) |
| Dampfdruck | 0.003Pa at 25℃ |
| Brechungsindex | 1.5800 (estimate) |
| Flammpunkt | 218°C |
| Lagerbedingungen | 0-10°C |
| Löslichkeit | soluble in Toluene594.08μg/L at 25℃ |
| Aggregatzustand | pellet |
| Farbe | White to Almost white |
| LogP (Verteilungskoeffizient) | 6.052 at 25℃ |
| CAS Datenbank | 91-97-4(CAS DataBase Reference) |
| EPA chemische Informationen | 3,3'-Dimethyl-4,4'-diphenylene diisocyanate (91-97-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)H317 (98.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P317, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-Hazard Traits - Respiratory ToxicityStatus: Active Update: 11-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10067Restricted substance: 3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Reaktive Gruppe | Isocyanates and Isothiocyanates |
| Reactivity Profile | Isocyanates and thioisocyanates, such as 3,3'-DIMETHYL-4,4'-DIPHENYLENE 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 Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Skin Sens. 1 (98.7%)Respiratory sensitization - Category 1Carc. 2 |
| Brandbekämpfung | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Erste Hilfe | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt 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)]: |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29291090 |
| RTECS-Nr. | DV3960000 |
Anwendungen & Verwendung
Verwenden
4,4''-Diisocyanato-3,3''-dimethylbiphenyl is used in preparation method of high-thixotropy single-component modified silane polymer sealant comprising thixotropic agent.