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HCID 98787Erstellt: 26. Oktober 2026

2,6-Xylyl isocyanate

2-Isocyanato-1,3-dimethylbenzene · 2,6-Xylyl isocyanate · Adagrasib Impurity 10 · 2,6-DIMETHYLPHENYL ISOCYANATE · Isocyanic acid, 2,6-xylyl ester · 2,6-DimethylphenylIsocyanate>2,6-Dimethylphenylisocyanate-98% · 2-isocyanato-1,3-dimethyl-benzen · 2,6-Dimethylphenyl isocyanate,99%

https://huagongshe.com/de/chemical/98787

Molekülstruktur von 2,6-Xylyl isocyanate

Identifikatoren & physikalische Daten

CAS No.28556-81-2
SummenformelC9H9NO
Durchschnittliche Molmasse147,17 g/mol
Monoisotopische Masse147,06841391 g/mol
SMILESCc1cccc(C)c1N=C=O
InChIKeyYQLRKXVEALTVCZ-UHFFFAOYSA-N
PubChem CID98787
EC No.628-230-2
DTXSIDDTXSID0067397

Chemische & physikalische Eigenschaften

XLogP3,5
Polarare Oberfläche (TPSA)29,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität162
SpringerMaterials PropertiesChemical shift
Siedepunkt87-89 °C (12 mmHg)
Dichte1.057 g/mL at 25 °C(lit.)
Brechungsindex1.5346-1.5366
Flammpunkt86 °C
Lagerbedingungen2-8°C
LöslichkeitChloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustandclear liquid
FarbeColorless to Light orange to Yellow
Wichte1.057
BRN742593
InChI1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKeyYQLRKXVEALTVCZ-UHFFFAOYSA-N
SMILESCc1cccc(C)c1N=C=O
CAS Datenbank28556-81-2(CAS DataBase Reference)
NIST chemische Informationen2,6-Dimethylphenyl isocyanate(28556-81-2)
EPA chemische InformationenBenzene, 2-isocyanato-1,3-dimethyl- (28556-81-2)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (10.9%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-Transportnummer2206
Zollcode2929100090
R-Sätze (R)42-36/37/38-20/21/22
GefahrensymboleXn
Sicherheitshinweise (S)45-36/37/39-26-23-37/39-28-27
Gefahrenklasse6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
VerpackungsgruppeIII
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Anwendungen & Verwendung

Verwenden

2,6-Dimethylphenyl isocyanate has been used in the preparation of:derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatographytris( 2,6-dimethylphenylimido)methylrhenium (VII)1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea