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HCID 78210Erstellt: 26. Oktober 2026

Benzoylisocyanat

BENZOYL ISOCYANATE · Benzoyl isocyanate-90% · Benzoyl isocyanate (9CI) · Benzoyl isocyanate, 90%, tech · BENZOYL ISOCYANATE, TECH., 90% · Benzoyl isocyanate, pract., 95% · Benzoyl isocyanate, tech., 90% 5GR · Benzoyl isocyanate technical grade, 90%

https://huagongshe.com/de/chemical/78210

Molekülstruktur von Benzoylisocyanat

Identifikatoren & physikalische Daten

CAS No.4461-33-0
SummenformelC8H5NO2
Durchschnittliche Molmasse147,13 g/mol
Monoisotopische Masse147,0320284 g/mol
SMILESO=C=NC(=O)c1ccccc1
InChIKeyLURYMYITPCOQAU-UHFFFAOYSA-N
PubChem CID78210
EC No.224-717-5
DTXSIDDTXSID90196249
Lokaler NameBenzoylisocyanat

Chemische & physikalische Eigenschaften

XLogP2,6
Polarare Oberfläche (TPSA)46,5
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität188
SpringerMaterials PropertiesChemical shift
Schmelzpunkt25.9°C
Siedepunkt94-96 °C21 mm Hg(lit.)
Dichte1.171 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.5514(lit.)
Flammpunkt162 °F
Lagerbedingungen-20°C
AggregatzustandSolid
FarbeClear to hazy colorlessor white
BRN878595
InChI1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
InChIKeyLURYMYITPCOQAU-UHFFFAOYSA-N
SMILESO=C=NC(=O)c1ccccc1
CAS Datenbank4461-33-0

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 2206 6.1/PG 3
Zollcode29291000
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn
Sicherheitshinweise (S)26-27-28-36/37/39
Gefahrenklasse6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
VerpackungsgruppeII
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Anwendungen & Verwendung

Verwenden

Benzoyl isocyanate was used as a capping reagent for low-reactivity hydroxy groups in the solid-phase-supported oligosaccharide synthesis.

Benzoyl isocyanate｜Huagongshe