methyl 4-bromo-1H-indole-2-carboxylate

HCID 4714973

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Grundinformationen

CAS: 167479-13-2
Standard-SMILES: COC(=O)c1cc2c(Br)cccc2[nH]1
InChIKey: DTPOJMDJBBGYFK-UHFFFAOYSA-N
Summenformel: C10H8BrNO2
Durchschnittliche Molmasse: 254,08 g/mol
Monoisotopische Masse: 252,97384

Namen und Bezeichner

Bevorzugter Name: methyl 4-bromo-1H-indole-2-carboxylate
IUPAC: methyl 4-bromo-1H-indole-2-carboxylate
Englischer Name: 4-Bromoindole-2-carboxylic acid methyl ester
Summenformel: C10H8BrNO2
Molmasse: 254.08

Namen und Synonyme

methyl 4-bromo-1H-indole-2-carboxylate167479-13-2DTXSID60405799RefChem:355600DTXCID60356651816-384-54-bromoindole-2-carboxylic acid methyl esterMFCD049669564-bromo-1H-indole-2-carboxylic acid methyl estermethyl 4-bromoindole-2-carboxylate1H-Indole-2-carboxylic acid, 4-bromo-, methyl ester1H-Indole-2-carboxylicacid, 4-bromo-, methyl ester

Weitere Namen anzeigen

Methyl 4-bromo-1H-indole-2-carboxylate 98%methyl 4-bromo-1H-indole-2-carboxylate - [M83515]

SCHEMBL2205092DTPOJMDJBBGYFK-UHFFFAOYSA-Nmethyl 4-bromo-2-indolecarboxylateALBB-007604STK504657AKOS000123978methyl4-bromo-1H-indole-2-carboxylateAS-66280

Datenbank-Bezeichner

CAS: 167479-13-2
PubChem CID: 4714973
DTXSID: DTXSID60405799
EC Number: 816-384-5
Nikkaji: J2.696.400H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 42,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 234

Physikochemische Eigenschaften

Siedepunkt: 386.2 · 386.2±22.0 °C(Predicted)
Dichte: 1.629 · 1.629±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.04 · 14.04±0.30(Predicted)
Aggregatzustand: solid
Farbe: Beige

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 2 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.