1,3,3-Trimethyl-2-[(2-methyl-3H-indol-3-yliden)ethyliden]indolinmonohydrochlorid
C.I.Basic Orange 21
Grundinformationen
- CAS
3056-93-7- Standard-SMILES
Cc1[nH]c2ccccc2c1C=CC1=[N+](C)c2ccccc2C1(C)C.[Cl-]- InChIKey
ZOMLUNRKXJYKPD-UHFFFAOYSA-N- Summenformel
- C22H23ClN2
- Durchschnittliche Molmasse
- 350,9 g/mol
- Monoisotopische Masse
- 350,1549764
Überblick
See also: C.I. Basic Orange 21 (preferred).
Namen und Bezeichner
- Bevorzugter Name
- C.I.Basic Orange 21
- IUPAC
- 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride
- Lokaler Name
- 1,3,3-Trimethyl-2-[(2-methyl-3H-indol-3-yliden)ethyliden]indolinmonohydrochlorid
- Englischer Name
- BASIC ORANGE 21
- Summenformel
- C22H23ClN2
- Molmasse
- 350.88
Namen und Synonyme
C.I.Basic Orange 211,3,3-trimethyl-2-[(1E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride1,3,3-Trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethen-1-yl]-3H-indol-1-ium chloride1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium;chlorideorangezhCI 48035nabororangeggenacrylorangegBASIC ORANGE 21SEVRON ORANGE Gsumiacrylorangegcationicorangezh
Weitere Namen anzeigen
Orlamar Orange Gc.i.basicorange21
Datenbank-Bezeichner
- CAS
3056-93-7- PubChem CID
- 18284
- DTXSID
DTXSID6051984
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 18,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 544
Physikochemische Eigenschaften
- storage temp.
- room temp
- Löslichkeit
- 1 · methanol: water (1:1): 10mg/mL, clear to hazy, red-orange
- Aggregatzustand
- powder
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C22H22N2.ClH/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;/h5-14H,1-4H3;1H
- InChIKey
- ZOMLUNRKXJYKPD-UHFFFAOYSA-N
- SMILES
- [Cl-].Cc1[nH]c2ccccc2c1\C=C\C3=[N+](C)c4ccccc4C3(C)C
- EPA chemische Informationen
- 1 H-Indole, · 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-ylidene)ethylidene]-, hydrochloride (1:1) (3056-93-7)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- RTECS-Nr.
- NM2251000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-28-36/37/39-45
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenMetachromatic dye
Darstellung
synthetische2-(1,3,3-Trimethylindolin-2-yl)acetaldehyde and 2-Methyl-2H-indazolein 90 ℃ in the condensation, and then dumped into the water, and translated into chloride.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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