(Isocyanatomethylene)dibenzene

HCID 4250935

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Grundinformationen

CAS: 3066-44-2
Standard-SMILES: O=C=NC(c1ccccc1)c1ccccc1
InChIKey: BWLKKFSDKDJGDZ-UHFFFAOYSA-N
Summenformel: C14H11NO
Durchschnittliche Molmasse: 209,24 g/mol
Monoisotopische Masse: 209,08406397

Namen und Bezeichner

Bevorzugter Name: (Isocyanatomethylene)dibenzene
IUPAC: [isocyanato(phenyl)methyl]benzene
Englischer Name: Diphenylmethyl isocyanate 98
Summenformel: C14H11NO
Molmasse: 209.24

Namen und Synonyme

(isocyanatomethylene)dibenzeneRefChem:406556625-556-7Diphenylmethyl isocyanate3066-44-2[isocyanato(phenyl)methyl]benzenediphenylmethylisocyanate1,1'-(isocyanatomethylene)dibenzeneMFCD01863694Benzene, 1,1'-(isocyanatomethylene)bis-diphenylmethyl-isocyanateDi-phenylmethylisocyanate

Weitere Namen anzeigen

Diphenylmethyl isocyanate 98%Diphenylmethyl isocyanate 981,1,-(isocyanatomethylene)dibenzene

diphenylmethane isocyanateSCHEMBL134389Diphenylmethyl isocyanate, 98%SCHEMBL27560901DTXSID70401227BWLKKFSDKDJGDZ-UHFFFAOYSA-N(Phenyl-isocyanato-methyl)-benzeneAKOS009157286

Datenbank-Bezeichner

CAS: 3066-44-2
PubChem CID: 4250935
DTXSID: DTXSID70401227
EC Number: 625-556-7
Nikkaji: J677.780E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Siedepunkt: 298 °C · 298 °C (lit.)
Dichte: 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.579(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
InChI: 1S/C14H11NO/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey: BWLKKFSDKDJGDZ-UHFFFAOYSA-N
SMILES: O=C=NC(c1ccccc1)c2ccccc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN2206
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-36
hazard_class: 6.1
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3