4-isocyanato-1H-indole

HCID 22032644CAS 581812-74-0

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Grundinformationen

Standard-SMILES: O=C=Nc1cccc2[nH]ccc12
InChIKey: WZBUDUAPHLTEEJ-UHFFFAOYSA-N
Summenformel: C9H6N2O
Durchschnittliche Molmasse: 158,16 g/mol
Monoisotopische Masse: 158,04801282

Namen und Bezeichner

Bevorzugter Name: 4-isocyanato-1H-indole
IUPAC: 4-isocyanato-1H-indole
Englischer Name: 4-Isocyanato-1H-indole
Summenformel: C9H6N2O
Molmasse: 158.16

Namen und Synonyme

4-Isocyanato-1H-indole581812-74-0RefChem:524290894-897-3indol-4-isocyanateMFCD11505056SCHEMBL4023666SCHEMBL30564127WZBUDUAPHLTEEJ-UHFFFAOYSA-NGYA81274SBB054894AKOS006326095

Weitere Namen anzeigen

1H-Indole, 4-isocyanato-

DB-087459EN300-196840

Datenbank-Bezeichner

CAS: 581812-74-0
PubChem CID: 22032644
EC Number: 894-897-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 45,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 211

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

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