3,3'-Dimethylbiphenyl-4,4'-diyldiisocyanat
Bitolylene diisocyanate
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Grundinformationen
- CAS
91-97-4- Standard-SMILES
Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O- InChIKey
ICLCCFKUSALICQ-UHFFFAOYSA-N- Summenformel
- C16H12N2O2
- Durchschnittliche Molmasse
- 264,28 g/mol
- Monoisotopische Masse
- 264,08987762
Namen und Bezeichner
- Bevorzugter Name
- Bitolylene diisocyanate
- IUPAC
- 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
- Lokaler Name
- 3,3'-Dimethylbiphenyl-4,4'-diyldiisocyanat
- Englischer Name
- 3,3'-Dimethyl-4,4'-biphenylene diisocyanate
- Summenformel
- C16H12N2O2
- Molmasse
- 264.28
Namen und Synonyme
91-97-44,4'-Diisocyanato-3,3'-dimethylbiphenylBitolylene diisocyanate3,3'-Dimethyl-4,4'-biphenylene diisocyanateNacconate 2003,3'-Dimethyl-4,4'-diphenylene diisocyanate3,3'-Bitolylene-4,4'-diisocyanate1,1'-BIPHENYL, 4,4'-DIISOCYANATO-3,3'-DIMETHYL-3,3'-Dimethylbiphenyl 4,4'-diisocyanate4,4'-Diisocyanato-3,3'-bitolylNSC 9599CCRIS 8907
Weitere Namen anzeigen
TODInacconate2003,3'-DIMETHYL-4-diyl diisocyanate3,3'-Dimethyl-4,4'-btolidinediisocyanatebitoluenediisocyanatebitolylenediisocyanateo-Tolidine diisocyanate-dimethylbiphenyl-4,4'
3,3'-Dimethyl-4,4'-biphenylene isocyanateEINECS 202-112-7UNII-9L950NB0HN3,3'-Dimethyl-4,4'-biphenylylene diisocyanateBRN 27437109L950NB0HNIsocyanic acid, 3,3'-dimethyl-4,4'-biphenylene esterNSC-9599
Datenbank-Bezeichner
- CAS
91-97-4- PubChem CID
- 7072
- DTXSID
DTXSID7041463- UNII
- 9L950NB0HN
- EC Number
- 202-112-7
- Nikkaji
- J41.830G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,9
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 384
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physikochemische Eigenschaften
- Schmelzpunkt
- 70 · 70-72°C
- Siedepunkt
- 195 · 195-197°C (667 Pa)
- Dichte
- 1.197 · 1.197 (80°C)
- Dampfdruck
- 0.003 Pa · 0.003Pa at 25℃
- Brechungsindex
- 1.58 · 1.5800 (estimate)
- Flammpunkt
- 218 °C · 218°C
- storage temp.
- 0 · 0-10°C
- Löslichkeit
- soluble in Toluene
- Aggregatzustand
- pellet
- Farbe
- White to Almost white
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
H317: 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)
Danger
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)
Gefahrenhinweise
Regulatory Information
Chemical: 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-
Hazard Traits - Respiratory Toxicity
Status: Active Update: 11-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10067
Restricted substance: 3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate
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 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)].
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-: ACTIVE
Anwendungen
Verwenden4,4''-Diisocyanato-3,3''-dimethylbiphenyl is used in preparation method of high-thixotropy single-component modified silane polymer sealant comprising thixotropic agent.
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