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109-01-3

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109-01-3 Structure

Identification	More
[Name] 1-Methylpiperazine
[CAS] 109-01-3
[Synonyms] 1-METHYLPIPERAZINE AKOS BBS-00003665 LABOTEST-BB LTBB000517 methylpiperazine METHYLPIPERAZINE-N N-METHYLPIPERAZINE NMPRZ 1-methyl-piperazin Piperazine,1-methyl- 1-METHYLPIPERAZINE, STANDARD FOR GC N-MethylPiperazineForSynthesis N-EthylPiperazineForSynthesis N-Methylpiperazine, 98+% 1-Methylpiperazine, 99+% N-Methylpiperazin n-METHYL PIPERAZINE extrapure 1-Methylpiperazine, 98+% 4-Methylpiperazine
[EINECS(EC#)] 203-639-5
[Molecular Formula] C5H12N2
[MDL Number] MFCD00005966
[Molecular Weight] 100.16
[MOL File] 109-01-3.mol

Chemical Properties	Back Directory
[Appearance] clear liquid
[Melting point ] -6 °C
[Boiling point ] 138 °C(lit.)
[density ] 0.903 g/mL at 25 °C(lit.)
[vapor density ] 3.5 (vs air)
[vapor pressure ] 12 hPa (20 °C)
[refractive index ] n20/D 1.466(lit.)
[Fp ] 108 °F
[storage temp. ] Store under Nitrogen
[solubility ] Chloroform (Soluble), Methanol (Soluble)
[form ] Liquid
[pka] pK1:4.94(+2);pK2:9.09(+1) (25°C,μ=0.1)
[color ] Clear
[Specific Gravity] 0.903
[PH] 11-12 (50g/l, H2O, 20℃)
[explosive limit] 1.2-9.9%(V)
[Water Solubility ] soluble
[Sensitive ] Hygroscopic
[Detection Methods] GC,NMR
[BRN ] 102724
[Henry's Law Constant] 1.8×10³ mol/(m³Pa) at 25℃, Nguyen (2013)
[InChI] 1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
[InChIKey] PVOAHINGSUIXLS-UHFFFAOYSA-N
[SMILES] CN1CCNCC1
[LogP] -0.57 at 25℃
[Surface tension] 30.65mN/m at 298.15K
[CAS DataBase Reference] 109-01-3(CAS DataBase Reference)
[NIST Chemistry Reference] Piperazine, 1-methyl-(109-01-3)
[Storage Precautions] Moisture sensitive;Heat sensitive
[EPA Substance Registry System] 109-01-3(EPA Substance)

Safety Data	Back Directory
[Symbol(GHS) ] GHS02,GHS05,GHS06
[Signal word ] Danger
[Hazard statements ] H226-H312-H314-H331
[Precautionary statements ] P210-P260-P280-P304+P340+P310-P305+P351+P338-P370+P378
[Hazard Codes ] T,F,C,Xi
[Risk Statements ] R10:Flammable. R21:Harmful in contact with skin. R23:Toxic by inhalation. R34:Causes burns. R36/37/38:Irritating to eyes, respiratory system and skin .
[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) . S36:Wear suitable protective clothing .
[RIDADR ] UN 2734 8/PG 2
[WGK Germany ] 2
[RTECS ] TM1225000
[Autoignition Temperature] 320 °C
[Hazard Note ] Flammable/Toxic/Corrosive/Store under nitrogen
[TSCA ] Yes
[REACH Registrations] Active
[HazardClass ] 3
[PackingGroup ] III
[HS Code ] 29335995
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B Skin Sens. 1B
[Safety Profile] Poison by intraperitoneal route. Moderately toxic by inhalation, ingestion, and skin contact. A severe skin and eye irritant. Flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of NOx.
[Toxicity] LD50 orally in Rabbit: 2547 mg/kg LD50 dermal Rabbit 1341 mg/kg

Raw materials And Preparation Products	Back Directory
[Raw materials] Methanol-->Carbon dioxide-->Piperazine-->Piperazine hexahydrate-->Piperazine dihydrochloride
[Preparation Products] Zopiclone-->2-(4-Methylpiperazin-1-yl)pyrimidine-5-carbaldehyde-->3-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde-->2-(4-Methylpiperazin-1-yl)pyrimidine-5-carboxamide-->2-(4-Methylpiperazin-1-yl)pyrimidin-5-amine-->(2-(4-Methylpiperazin-1-yl)pyrimidin-5-yl)methanol-->2-(4-Methylpiperazin-1-yl)pyrimidine-5-carbonyl chloride-->(3,4-Diamino-phenyl)-(4-methyl-piperazin-1-yl)-methanone-->2-(4-Methylpiperazin-1-yl)pyrimidine-5-carboxylic acid-->2-(4-Methylpiperazin-1-yl)pyrimidine-5-carbonitrile-->3-(4-Methylpiperazin-1-ylmethyl)benzoic acid-->Ethyl 2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate-->4-[(4-Methylpiperazin-1-yl)methyl]aniline-->(2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)methanamine-->Chlorcyclizine hydrochloride-->2-Hydrazinyl-1-(4-methylpiperazin-1-yl)ethanone-->3-Hydrazinyl-1-(4-methylpiperazin-1-yl)propan-1-one-->CHLORCYCLIZINE-->2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carbaldehyde-->Levofloxacin-->2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide-->(2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)methanol-->2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine-->2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carbonitrile-->4-(4-Methylpiperazino)aniline-->2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid-->1-Methyl-4-(4-nitrophenyl)piperazine-->Ethyl 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylate-->4-(4-Methylpiperazinomethyl)benzoic acid-->(4-Methyl-piperazin-1-yl)-acetic acid-->Clozapine-->1-Methyl-4-(3-nitrophenyl)piperazine-->1-AdaMantanethylaMine-->1-Methyl-4-(4-nitrobenzyl)piperazine-->1-Amino-4-methylpiperazine-->1-Formyl-4-methylpiperazine

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 1-Methylpiperazine(109-01-3).msds

Hazard Information	Back Directory
[Hazard] Moderate fire risk.
[Chemical Properties] clear liquid
[Uses] 1-Methylpiperazine is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP)
[Definition] ChEBI: 1-Methylpiperazine is a N-methylpiperazine.
[Flammability and Explosibility] Flammable

Spectrum Detail	Back Directory
[Spectrum Detail] 1-Methylpiperazine(109-01-3)MS 1-Methylpiperazine(109-01-3)¹HNMR 1-Methylpiperazine(109-01-3)¹³CNMR 1-Methylpiperazine(109-01-3)IR1 1-Methylpiperazine(109-01-3)IR2 1-Methylpiperazine(109-01-3)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 1-Methylpiperazine, 99+%(109-01-3)
[Alfa Aesar] 1-Methylpiperazine, 98+%(109-01-3)
[Sigma Aldrich] 109-01-3(sigmaaldrich)
[TCI AMERICA] 1-Methylpiperazine,>98.0%(GC)(109-01-3)

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