Pentadecyl isocyanate

HCID 14464675CAS 39633-51-7

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCN=C=O
InChIKey: HULTVDSPXGVYBQ-UHFFFAOYSA-N
Summenformel: C16H31NO
Durchschnittliche Molmasse: 253,42 g/mol
Monoisotopische Masse: 253,24056461

Namen und Bezeichner

Bevorzugter Name: Pentadecyl isocyanate
IUPAC: 1-isocyanatopentadecane
Englischer Name: PENTADECYL ISOCYANATE 97
Summenformel: C16H31NO
Molmasse: 253.42

Namen und Synonyme

Pentadecyl isocyanateRefChem:859730622-997-739633-51-71-ISOCYANATOPENTADECANEpentadecylisocyanatn-pentadecylisocyanatePentadecyl isocyanate, 97%SCHEMBL1000112SCHEMBL4103453SCHEMBL4103458DTXSID60560650

Weitere Namen anzeigen

PENTADECYL ISOCYANATE 97Pentadecane, 1-isocyanato-

HULTVDSPXGVYBQ-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 39633-51-7
PubChem CID: 14464675
DTXSID: DTXSID60560650
EC Number: 622-997-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,2
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 14
Schwere Atome: 18
Formalladung: 0
Komplexität: 197

Physikochemische Eigenschaften

Siedepunkt: 320 · 320-324 °C(lit.)
Dichte: 0.852 g/mL · 0.852 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4470(lit.)
Flammpunkt: 230 °F · >230 °F

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]；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, 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 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%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)