ChemicalBook--->CAS DataBase List--->6872-06-6

6872-06-6

6872-06-6 Structure

6872-06-6 Structure
IdentificationMore
[Name]

2-Methylindoline
[CAS]

6872-06-6
[Synonyms]

2,3-DIHYDRO-2-METHYLINDOLE
2-METHYL-2,3-DIHYDRO-1H-INDOLE
2-METHYLINDOLINE
(R,S)-2-Methyl-2,3-dihydro-1H-indole
1H-Indole, 2,3-dihydro-2-methyl-
1H-Indole,2,3-dihydro-2-methyl-
2,3-dihydro-2-methyl-1h-indol
2,3-Dihydro-2-methyl-1H-indole
2-Methyl-2,3-dihydroindole
2-methyl-indolin
alpha-Methyldihydroindole
Dihydroindole, 2-methyl-
Indoline, 2-methyl-
PE-11
2-Methylindoline, 99+%
[EINECS(EC#)]

229-971-0
[Molecular Formula]

C9H11N
[MDL Number]

MFCD00005706
[Molecular Weight]

133.19
[MOL File]

6872-06-6.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW TO BROWN LIQUID
[Melting point ]

-51 °C
[Boiling point ]

228-229 °C (lit.)
[density ]

1.023 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.569(lit.)
[Fp ]

200 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Chloroform, Methanol
[form ]

Liquid
[pka]

5.26±0.40(Predicted)
[color ]

Clear yellow to brown
[Specific Gravity]

1.02
[Optical Rotation]

-2.4550° (C=1.0 g/100ml, MEOH, 20°C, 589nm)
[Water Solubility ]

negligible
[InChI]

1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3
[InChIKey]

QRWRJDVVXAXGBT-UHFFFAOYSA-N
[SMILES]

CC1Cc2ccccc2N1
[CAS DataBase Reference]

6872-06-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Methylindoline(6872-06-6)
[EPA Substance Registry System]

6872-06-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Environment (GHS09)
GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H311-H319-H400
[Precautionary statements ]

P264-P273-P280-P301+P312-P302+P352+P312-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S57:Use appropriate container to avoid environmental contamination .
[WGK Germany ]

3
[RTECS ]

NM1926350
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29349990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methylindole-->Benzenamine, 2-(2-propyn-1-yl)--->Benzenamine, 2-(2-propenyl)--->N-Allylaniline-->1-(2-bromophenyl)propan-2-amine
[Preparation Products]

Basic Yellow 21-->1H-Indole, 1-ethyl-2,3-dihydro-2-methyl--->5-Bromo-2-methylindole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylindoline(6872-06-6).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW TO BROWN LIQUID
[Uses]

Reactant for preparation of:
  • Inhibitors of NOD1-induced nuclear factor-κB activation
  • Red fluorescent dyes for organic light-emitting diodes
  • Norepinephrine reuptake inhibitors
  • MT2-selective melatonin receptor antagonists
  • Protease-activated receptor-1 antagonists
  • Diuretic agent indapamide
  • Dopamine D2/D4 receptor antagonists
  • Antitumor agents
[Uses]

2-Methylindoline is an intermediate in the production of various indole derivatives
[Definition]

ChEBI: 2-Methylindoline is a member of indoles.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 111, p. 4108, 1989 DOI: 10.1021/ja00193a056
Chemical and Pharmaceutical Bulletin, 26, p. 108, 1978 DOI: 10.1248/cpb.26.108
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylindoline(6872-06-6)1HNMR
2-Methylindoline(6872-06-6)Raman
2-Methylindoline(6872-06-6)FT-IR
2-Methylindoline(6872-06-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylindoline, 99+%(6872-06-6)
[Sigma Aldrich]

6872-06-6(sigmaaldrich)
[TCI AMERICA]

2-Methylindoline,>98.0%(GC)(6872-06-6)
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