ChemicalBook--->CAS DataBase List--->41532-84-7

41532-84-7

41532-84-7 Structure

41532-84-7 Structure
IdentificationMore
[Name]

1,1,2-Trimethyl-1H-benz[e]indole
[CAS]

41532-84-7
[Synonyms]

1,1,2-TRIMETHYL-1H-BENZ[E]INDOLE
1,1,2-TRIMETHYL-1H-BENZO[E]INDOLE
1,1,2-TRIMETHYLBENZ[E]INDOLE
1,1,2-TRIMETHYLBENZO[E]INDOLE
1,1,2-TRIMETHYLNAPHTHO[1,2-D]PYRROLE
1H-BENZO[E]INDOLE, 1,1,2-TRIMETHYL-
2,3,3-TRIMETHYL-3H-BENZ[E]INDOL
2,3,3-TRIMETHYL-3H-BENZO[E]INDOLE
2,3,3-TRIMETHYL-4,5-BENZO-3H-INDOLE
2,3,3-TRIMETHYL-4,5-BENZOINDOLENINE
2,3,3-TRIMETHYLBENZO[E]INDOLENINE
2,3,3-TRIMETHYLBENZOINDOLENINE
2,3,3-TRIMETHYLNAPHTO[1,2-D]PYRROLE
AKOS BBS-00006363
TMBI
1,1,2-trimethyl-1h-benz[e]indol
1,1,2-TRIMEHTYL-1H-BENZ[E]INDOLE
2,3,3-Trimethyl-1H-Benzo(E)Indole
1,2,2-Trimethyl-1H-benz[e]indole
2,3,3-trimethylnaphtho[1,2-d]pyrrole
[EINECS(EC#)]

255-429-8
[Molecular Formula]

C15H15N
[MDL Number]

MFCD00082627
[Molecular Weight]

209.29
[MOL File]

41532-84-7.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to brown crystalline powder
[Melting point ]

111-117 °C
[Boiling point ]

338.66°C (rough estimate)
[density ]

0.7
[refractive index ]

1.5720 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

insoluble (20°C)
[form ]

Crystalline Powder
[pka]

5.77±0.40(Predicted)
[color ]

Yellow to brown
[Water Solubility ]

insoluble (20 ºC)
[Detection Methods]

HPLC,NMR
[BRN ]

153709
[InChI]

InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3
[InChIKey]

WJZSZXCWMATYFX-UHFFFAOYSA-N
[SMILES]

N1C2=C(C3=CC=CC=C3C=C2)C(C)(C)C=1C
[CAS DataBase Reference]

41532-84-7(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

1H-Benz[e]indole, 1,1,2-trimethyl- (41532-84-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R45:May cause cancer.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3,3-Trimethylnaphto[1,2-d]pyrrole(41532-84-7).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow to brown crystalline powder
[Uses]

1,1,2-Trimethyl-1H-benzo[e]indole can be used as an indole pH fluorescent probe and can be used for intracellular pH detection and cell marking. It can also be used as a novel nanocarrier-based near-infrared optical probes for in-vivo tumor imaging.
[Synthesis]

Isopropyl methyl ketone (9.00 g, 0.1 mol) was added to a solution of 2-naphthylhydrazine hydrochloride (15.80 g, 0.1 mol) in glacial acetic acid (100 mL). The mixture was stirred for 0.5 h at 20 °C and refluxed for 6 h. Then, the reaction mixture was poured onto ice and neutralized with sodium carbonate, a precipitate formed was collected by filtration. The yield was 19.8 g (95%).
1,1,2-Trimethyl-1H-benz[e]indole
[References]

[1] Russian Chemical Bulletin, 2016, vol. 65, # 11, p. 2722 - 2728
[2] Izv. Akad. Nauk, Ser. Khim., 2016, # 11, p. 2722 - 2728,7
Spectrum DetailBack Directory
[Spectrum Detail]

1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7)MS
1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7)1HNMR
1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7)13CNMR
1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7)IR1
1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,1,2-Trimethyl-1H-benz[e]indole, 96%(41532-84-7)
[Alfa Aesar]

1,1,2-Trimethyl-1H-benz[e]indole, 97%(41532-84-7)
[Sigma Aldrich]

41532-84-7(sigmaaldrich)
[TCI AMERICA]

2,3,3-Trimethyl-4,5-benzo-3H-indole,>97.0%(T)(41532-84-7)
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