3-Isocyanatothiophene

HCID 2776380

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 76536-95-3
Standard-SMILES: O=C=Nc1ccsc1
InChIKey: PVIZQOWWCLBJES-UHFFFAOYSA-N
Summenformel: C5H3NOS
Durchschnittliche Molmasse: 125,15 g/mol
Monoisotopische Masse: 124,99353489

Namen und Bezeichner

Bevorzugter Name: 3-Isocyanatothiophene
IUPAC: 3-isocyanatothiophene
Englischer Name: 3-Thienyl isocyanate
Summenformel: C5H3NOS
Molmasse: 125.15

Namen und Synonyme

3-isocyanatothiophene76536-95-3DTXSID40380030RefChem:280141DTXCID303310563-Thienyl IsocyanateThien-3-yl isocyanateThiophene,3-isocyanato-MFCD026818993-ThienylisocyanateThiophene, 3-isocyanato-thiophen-3-isocyanate

Weitere Namen anzeigen

3-THIENYL ISOCYANATE, 98+%Thiophene, 3-isocyanato- (9CI)3-Thienyl isocyanate ISO 9001：2015 REACH

3-isocyanato-thiopheneSCHEMBL424170SCHEMBL3402511SBB054892AKOS000167121PS-10316SY019589DB-015269

Datenbank-Bezeichner

CAS: 76536-95-3
PubChem CID: 2776380
DTXSID: DTXSID40380030
EC Number: 876-078-2
Nikkaji: J465.653I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 57,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Siedepunkt: 36 °C · 36 °C
Aggregatzustand: liquid
Farbe: Dark orange/brown
CAS Datenbank: 76536 · 76536-95-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H227 (66.7%): Combustible liquid [Warning Flammable liquids]；H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (66.7%): 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]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 CategoriesFlam. Liq. 4 (66.7%)；Acute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (66.7%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；Resp. Sens. 1 (66.7%)；STOT SE 3 (100%)