4-Chloro-2-phenoxyphenyl isocyanate

HCID 3407433CAS 160693-21-0

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Grundinformationen

Standard-SMILES: O=C=Nc1ccc(Cl)cc1Oc1ccccc1
InChIKey: CZFHANYTOSYAEC-UHFFFAOYSA-N
Summenformel: C13H8ClNO2
Durchschnittliche Molmasse: 245,66 g/mol
Monoisotopische Masse: 245,0243562

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-2-phenoxyphenyl isocyanate
IUPAC: 4-chloro-1-isocyanato-2-phenoxybenzene
Englischer Name: 4-Chloro-2-phenoxyphenyl isocyanate 97
Summenformel: C13H8ClNO2
Molmasse: 245.66

Namen und Synonyme

160693-21-04-Chloro-2-phenoxyphenyl isocyanateDTXSID50392200RefChem:291566DTXCID60343061622-662-54-chloro-1-isocyanato-2-phenoxybenzeneBenzene, 4-chloro-1-isocyanato-2-phenoxy-4-CHLORO-2-PHENOXYPHENYL ISOCYANATE 974-chloro-2-phenoxyphenylisocyanatestarbld0006537SCHEMBL160585

Weitere Namen anzeigen

4-Chloro-2-phenoxyphenyl isocyanate 975-chloro-2-isocyanatophenyl phenyl etherBenzene, 4-chloro-1-isocyanato-2-phenoxy- (9CI)

SCHEMBL29648775CZFHANYTOSYAEC-UHFFFAOYSA-N4-chloro-2-phenoxy phenyl isocyanate4-chloro-1-isocyanato-2-phenoxy benzeneDA-096844-Chloro-2-phenoxyphenyl isocyanate, 97%

Datenbank-Bezeichner

CAS: 160693-21-0
PubChem CID: 3407433
DTXSID: DTXSID50392200
EC Number: 622-662-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-40 °C(lit.)
Siedepunkt: 328.9 · 328.9±32.0 °C(Predicted)
Dichte: 1.21 · 1.21±0.1 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

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]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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 39 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)