1-Isocyanato-2-phenoxybenzene

HCID 2733389CAS 59377-20-7

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Grundinformationen

Standard-SMILES: O=C=Nc1ccccc1Oc1ccccc1
InChIKey: KCHQIPPONLLUGU-UHFFFAOYSA-N
Summenformel: C13H9NO2
Durchschnittliche Molmasse: 211,22 g/mol
Monoisotopische Masse: 211,06332853

Namen und Bezeichner

Bevorzugter Name: 1-Isocyanato-2-phenoxybenzene
IUPAC: 1-isocyanato-2-phenoxybenzene
Englischer Name: 2-Phenoxyphenyl isocyanate
Summenformel: C13H9NO2
Molmasse: 211.22

Namen und Synonyme

59377-20-71-isocyanato-2-phenoxybenzene2-PhenoxyphenylisocyanateDTXSID10974788RefChem:433314DTXCID001402209624-955-32-Phenoxyphenyl isocyanateMFCD006730472-phenoxybenzenisocyanatephenoxyphenyl isocyanate2-phenoxy phenyl isocyanate

Weitere Namen anzeigen

2-Phenoxyphenyl2-Phenoxyphenyl isocyanate,97%Benzene, 1-isocyanato-2-phenoxy-Benzene, 1-isocyanato-2-phenoxy- (9CI)

SCHEMBL6730411-isocyanato-2-phenoxy-benzene2-Phenoxyphenyl isocyanate, 98%KCHQIPPONLLUGU-UHFFFAOYSA-NGEO-02102SBB079389AKOS005169890DB-021481

Datenbank-Bezeichner

CAS: 59377-20-7
PubChem CID: 2733389
DTXSID: DTXSID10974788
EC Number: 624-955-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 255

Physikochemische Eigenschaften

Siedepunkt: 101 °C0.1 · 101 °C0.1 mm Hg(lit.)
Dichte: 1.168 g/mL · 1.168 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.588(lit.)
Flammpunkt: 230 °F · >230 °F
CAS Datenbank: 59377 · 59377-20-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.