6-Chloro-1,2,3,4-tetrahydrocarbazole

HCID 326615CAS 36684-65-8

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Grundinformationen

Standard-SMILES: Clc1ccc2[nH]c3c(c2c1)CCCC3
InChIKey: CNQQPGJXOHSTQR-UHFFFAOYSA-N
Summenformel: C12H12ClN
Durchschnittliche Molmasse: 205,68 g/mol
Monoisotopische Masse: 205,0658271

Namen und Bezeichner

Bevorzugter Name: 6-Chloro-1,2,3,4-tetrahydrocarbazole
IUPAC: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole
Englischer Name: 6-Chloro-1 2 3 4-tetrahydrocarbazole 9&
Summenformel: C12H12ClN
Molmasse: 205.68

Namen und Synonyme

6-Chloro-1,2,3,4-tetrahydrocarbazoleRefChem:541349623-782-06-Chloro-2,3,4,9-tetrahydro-1H-carbazole36684-65-8MFCD005413311H-Carbazole, 6-chloro-2,3,4,9-tetrahydro-NSC298291DTXSID10315950STK029780ZB1440AKOS000275071

Weitere Namen anzeigen

NSC 2982911,2,3,4-Tetrahydro-6-chlorocarbazole6-Chloro-1,2,3,4-tetrahydrocarbazole >6-Chloro-1 2 3 4-tetrahydrocarbazole 9&6-CHLORO-1,2,3,4-TETRAHYDROCARBAZOLE, 98 %

DS-4197SB66959C28576-Chloro-1,2,3,4-tetrahydrocarbazole, 98%C748906-Chloro-2,3,4,9-tetrahydro-1H-carbazole #3-chloro-5,6,7,8,9-pentahydro-4aH-carbazoleA21386

Datenbank-Bezeichner

CAS: 36684-65-8
PubChem CID: 326615
DTXSID: DTXSID10315950
EC Number: 623-782-0
Nikkaji: J984.487B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-148 °C (lit.)
Siedepunkt: 358.8 · 358.8±37.0 °C(Predicted)
Dichte: 1.28 · 1.280
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: slightly sol. in Methanol
Aggregatzustand: powder to crystal
pka: 16.93 · 16.93±0.20(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C12H12ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2
InChIKey: CNQQPGJXOHSTQR-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Cl)C=C2)C2=C1CCCC2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.