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HCID 98605Erstellt: 27. Oktober 2026

2,5-Dimethylphenyl isocyanate

2,5-Dimethylphenyl isocyanate · 2-isocyanato-1,4-dimethyl-benzen · 2,5-DIMETHYLPHENYL ISOCYANATE 98% · 2,5-Dimethylphenyl isocyanate,98% · Benzene, 2-isocyanato-1,4-dimethyl- · 2,5-DiMethylphenyl isocyanate, 98% 1GR

https://huagongshe.com/de/chemical/98605

Molekülstruktur von 2,5-Dimethylphenyl isocyanate

Identifikatoren & physikalische Daten

CAS No.40397-98-6
SummenformelC9H9NO
Durchschnittliche Molmasse147,17 g/mol
Monoisotopische Masse147,06841391 g/mol
SMILESCc1ccc(C)c(N=C=O)c1
InChIKeySOXVXJQIQVOCAY-UHFFFAOYSA-N
PubChem CID98605
ChEBICHEBI:60097
EC No.627-607-9
DTXSIDDTXSID1068227

Chemische & physikalische Eigenschaften

XLogP3,5
Polarare Oberfläche (TPSA)29,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität172
Siedepunkt210 °C(lit.)
Dichte1.043 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.532(lit.)
Flammpunkt195 °F
Lagerbedingungen2-8°C
Aggregatzustandliquid
Wichte1.043
FarbeClear, colourless
BRN1100841
InChI1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
InChIKeySOXVXJQIQVOCAY-UHFFFAOYSA-N
SMILESCc1ccc(C)c(c1)N=C=O
CAS Datenbank40397-98-6(CAS DataBase Reference)
EPA chemische InformationenBenzene, 2-isocyanato-1,4-dimethyl- (40397-98-6)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (11.1%): 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, P316, P317, P319, P320, 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2206 6.1/PG 3
Zollcode29291090
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn
Sicherheitshinweise (S)26-36
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