ChemicalBook--->CAS DataBase List--->120-94-5

120-94-5

120-94-5 Structure

120-94-5 Structure
IdentificationMore
[Name]

1-Methylpyrrolidine
[CAS]

120-94-5
[Synonyms]

1-METHYLPYRROLIDINE
N-METHYLPYRROLIDINE
1-methyl
1-methyl-pyrrolidin
Methylpyrrolidine
methylpyrrolidine(non-specificname)
N-Methyltetrahydropyrrole
Pyrrolidine, N-methyl
Pyrrolidine,1-methyl-
Pyrrolidine,l-methyl-
[EINECS(EC#)]

204-438-5
[Molecular Formula]

C5H11N
[MDL Number]

MFCD00003173
[Molecular Weight]

85.15
[MOL File]

120-94-5.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

-90 °C
[Boiling point ]

76-80 °C (lit.)
[density ]

0.819 g/mL at 25 °C(lit.)
[vapor pressure ]

100 hPa (20 °C)
[refractive index ]

n20/D 1.425
[Fp ]

−7 °F
[storage temp. ]

Flammables area
[solubility ]

213g/l
[form ]

Liquid
[pka]

10.32(at 25℃)
[color ]

Clear colorless
[PH]

11.3 (1g/l, H2O)
[explosive limit]

1.1-9.1%(V)
[Water Solubility ]

fully miscible
[Detection Methods]

GC
[BRN ]

102445
[Henry's Law Constant]

3.3×10-1 mol/(m3Pa) at 25℃, Cabani et al. (1971)
[InChI]

1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
[InChIKey]

AVFZOVWCLRSYKC-UHFFFAOYSA-N
[SMILES]

CN1CCCC1
[LogP]

1.1 at 23℃
[CAS DataBase Reference]

120-94-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyrrolidine, 1-methyl-(120-94-5)
[EPA Substance Registry System]

120-94-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS02,GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H225-H301-H314-H332-H411
[Precautionary statements ]

P210-P273-P280-P301+P310+P330-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

F,C,N
[Risk Statements ]

R11:Highly Flammable.
R22:Harmful if swallowed.
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R35:Causes severe burns.
R20/22:Harmful by inhalation and if swallowed .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S29:Do not empty into drains .
[RIDADR ]

UN 2924 3/PG 2
[WGK Germany ]

2
[RTECS ]

UY1420500
[Autoignition Temperature]

170 °C DIN 51794
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29339900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Oral
Acute Tox. 4 Inhalation
Aquatic Chronic 2
Flam. Liq. 2
Skin Corr. 1A
[Safety Profile]

Poison by intraperitoneal and intravenous routes. This material is strongly alkaline. Liquid and vapors are corrosive to the skin, eyes, or mucous membranes. A very dangerous fire hazard; keep away from sparks, heat sources, and powerful oxidizers. Keep in closed containers. To fight fire, use alcohol foam. When heated to decomposition it emits highly toxic fumes of NOx.
[Toxicity]

LD50 orally in Rabbit: 280 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,4-Dibromobutane-->Methylamine
[Preparation Products]

1-Methyl-3-(a-cyclopentylmandeloyloxy)pyrrolidinehydrochloride-->Azelastine-->1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide-->ABT-492-->N-Methylpyrrole-2-carboxylic acid-->2-(1-methylpyrrolidin-2-yl)cyclohexanone-->N-(1-Methyl-2-pyrrolidinylidene)-p-toluenesulfonamide-->2'-O-(2-Methoxyethyl)cytidine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Methylpyrrolidine(120-94-5).msds
Hazard InformationBack Directory
[Hazard]

Flammable, dangerous fire risk. Irritant toskin and eyes.
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

A methylated pyrollidine which is an essential part of the structure of Cefipime (C242750) often analyzed via ion chromatography. A cigarette smoke constitutent.
[Preparation]

n-methylpyrrolidine was successfully synthesized in an aqueous medium by using methylamine and 1,4-dibromobutane in the presence of catalyst k2co3 at a moderated temperature. here, n-methylpyrrolidine was firstly synthesized via the green chemistry process, in which both the water solvent and potassium carbonate catalyst were inexpensive and environmentally friendly. also, the reaction temperature was quite moderated at 90°C.
green organic synthesis of n-methylpyrrolidine
[Flammability and Explosibility]

Highlyflammable
[Synthesis]

1-Methylpyrrolidine is prepared by hydrogenation of N-Methylpyrrole over Adams' catalyst.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methylpyrrolidine(120-94-5)MS
1-Methylpyrrolidine(120-94-5)1HNMR
1-Methylpyrrolidine(120-94-5)13CNMR
1-Methylpyrrolidine(120-94-5)IR1
1-Methylpyrrolidine(120-94-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Methylpyrrolidine, 98%(120-94-5)
[Alfa Aesar]

1-Methylpyrrolidine, 98%(120-94-5)
[Sigma Aldrich]

120-94-5(sigmaaldrich)
[TCI AMERICA]

1-Methylpyrrolidine,>98.0%(GC)(T)(120-94-5)
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