1,2-Dimethyl-1H-indole-3-carboxaldehyde

HCID 599084CAS 38292-40-9

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Grundinformationen

Standard-SMILES: Cc1c(C=O)c2ccccc2n1C
InChIKey: HYGUWHAXRMPCCP-UHFFFAOYSA-N
Summenformel: C11H11NO
Durchschnittliche Molmasse: 173,21 g/mol
Monoisotopische Masse: 173,08406397

Namen und Bezeichner

Bevorzugter Name: 1,2-Dimethyl-1H-indole-3-carboxaldehyde
IUPAC: 1,2-dimethylindole-3-carbaldehyde
Englischer Name: 1,2-DIMETHYL-1H-INDOLE-3-CARBOXALDEHYDE
Summenformel: C11H11NO
Molmasse: 173.21

Namen und Synonyme

1,2-Dimethyl-1H-indole-3-carboxaldehydeRefChem:411750674-350-338292-40-91,2-Dimethyl-1H-indole-3-carbaldehyde1,2-dimethylindole-3-carbaldehydeMFCD007452941H-Indole-3-carboxaldehyde,1,2-dimethyl-1,2-Dimethyl-3-formylindoleSCHEMBL1792194DTXSID20344736STK279671

Weitere Namen anzeigen

AKOS JY2083297CHEMBRDG-BB 4006399TIMTEC-BB SBB010161ASINEX-REAG BAS 075715011,2-Dimethyl-3-formyl-1H-indole1,2-dimethyl-3-indolecarboxaldehyde

AKOS000265809AB07014PS-5928NCGC00331442-011,2-Dimethyl-1H-indole-3-carbaldehyde #AB01096310-031,2-dimethyl-1H-indole-3-carboxaldehyde, AldrichCPRLCZC2177

Datenbank-Bezeichner

CAS: 38292-40-9
PubChem CID: 599084
DTXSID: DTXSID20344736
EC Number: 674-350-3
Nikkaji: J566.247H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 22 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 204

Physikochemische Eigenschaften

Schmelzpunkt: 127 · 127-129
Siedepunkt: 200 · 200-205 °C(Press: 5 Torr)
Dichte: 1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: solid
InChI: 1S/C11H11NO/c1-8-10(7-13)9-5-3-4-6-11(9)12(8)2/h3-7H,1-2H3
InChIKey: HYGUWHAXRMPCCP-UHFFFAOYSA-N
SMILES: Cc1c(C=O)c2ccccc2n1C
CAS Datenbank: 38292 · 38292-40-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): 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 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)