1-methyl-1H-indole-4-sulfonyl chloride

HCID 18525782CAS 876316-36-8

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Grundinformationen

Standard-SMILES: Cn1ccc2c(S(=O)(=O)Cl)cccc21
InChIKey: HFWFOJFQXZBLAU-UHFFFAOYSA-N
Summenformel: C9H8ClNO2S
Durchschnittliche Molmasse: 229,68 g/mol
Monoisotopische Masse: 228,9964274

Namen und Bezeichner

Bevorzugter Name: 1-methyl-1H-indole-4-sulfonyl chloride
IUPAC: 1-methylindole-4-sulfonyl chloride
Englischer Name: 1-Methyl-1H-indole-4-sulfonyl chloride
Summenformel: C9H8ClNO2S
Molmasse: 229.68

Namen und Synonyme

1-Methyl-1H-indole-4-sulfonyl chloride876316-36-8DTXSID80594538RefChem:231509DTXCID60545301690-007-01-methylindole-4-sulfonyl chloride1H-Indole-4-sulfonylchloride, 1-methyl-1-Methyl-1H-indole-4-sulphonyl chlorideMFCD086902601-methyl-1h-indole-4-sulfonylchlorideSCHEMBL791339

Weitere Namen anzeigen

4-(Chlorosulphonyl)-1-methyl-1H-indole1H-Indole-4-sulfonyl chloride, 1-methyl-1-Methyl-1H-indole-4-sulphonylchloride97%1-Methyl-1H-indole-4-sulphonyl chloride 97%

HFWFOJFQXZBLAU-UHFFFAOHFWFOJFQXZBLAU-UHFFFAOYSA-Nchloro(1-methylindol-4-yl)sulfoneBKB31636SBB055044AKOS007930899BS-53109SY342714

Datenbank-Bezeichner

CAS: 876316-36-8
PubChem CID: 18525782
DTXSID: DTXSID80594538
EC Number: 690-007-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 47,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 311

Physikochemische Eigenschaften

Schmelzpunkt: 94 °C · 94 °C
Siedepunkt: 382.9 · 382.9±15.0 °C(Predicted)
Dichte: 1.43 · 1.43±0.1 g/cm3(Predicted)
Aggregatzustand: crystalline powder
Farbe: Brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, 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.