1-Methylpiperazine

Iupac Name：1-methylpiperazine

Molecular Weight：100.165

Modify Date.: 2023-03-01 11:50

Introduction: 1-Methylpiperazine is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP) View more+

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1. Names and Identifiers

1.1 Name: 1-Methylpiperazine
1.2 Synonyms: 1-methyl-piperazin 1-Methyl-piperazine 1-METHYLPIPERAZINE FOR SYNTHESIS 1-Methylpiperazinediium 4-Methylpiperazine Cyclizine Related CoMpound A EINECS 203-639-5 methyl piperazine methylpiperazine MFCD00005966 N-Methyl piperazine N'-Methylpiperazine N-METHYLPIPERAZINE N-METHYL-PIPERAZINE NMPRZ Piperazine, 1-methyl- PIPERAZINE,1-METHYL Piperazinium, 1-methyl-

1.3 CAS No.: 109-01-3

1.4 CID: 53167

1.5 EINECS(EC#): 203-639-5

1.6 Molecular Formula: C5H12N2 (isomer)

1.7 Inchi: InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3

1.8 InChkey: PVOAHINGSUIXLS-UHFFFAOYSA-N

1.9 Canonical Smiles: CN1CCNCC1

1.10 Isomers Smiles: CN1CCNCC1

2. Properties

2.1 Density: 0.903

2.1 Melting point: -6℃

2.1 Boiling point: 138℃

2.1 Refractive index: 1.4645-1.4665

2.1 Flash Point: 42℃

2.2 Precise Quality: 100.10000

2.2 PSA: 15.27000

2.2 logP: -0.21190

2.2 VaporDensity: 3.5 (vs air)

2.3 Appearance: Clear Liquid

2.4 Storage: Air Sensitive. Store under Argon. Ambient temperatures.

2.5 Chemical Properties: clear liquid

2.6 Color/Form: Clear

2.7 PH: 11-12 (50g/l, H2O, 20℃)

2.8 pKa: pK1:4.94(+2);pK2:9.09(+1) (25°C,μ=0.1)

2.9 Water Solubility: soluble

2.10 Stability: Stable under normal temperatures and pressures.

2.11 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 251 companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 3 of 251 companies. For more detailed information, please visit ECHA C&L website

Of the 23 notification(s) provided by 248 of 251 companies with hazard statement code(s):

H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
H312 (52.82%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (49.19%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (47.98%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H330 (27.42%): Fatal if inhaled [Danger Acute toxicity, inhalation]
H331 (11.29%): Toxic if inhaled [Danger Acute toxicity, inhalation]
H332 (52.82%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501

3.2 Usage: 1-Methylpiperazine is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP)

4. Safety and Handling

4.1 Symbol: GHS02, GHS05, GHS06

4.1 Hazard Codes: C

4.1 Signal Word: Danger

4.1 Risk Statements: R10;R21;R34

4.1 Safety Statements: S16;S26;S36/37/39;S45

4.1 Packing Group: III

4.1 Hazard Class: 3

4.1 Hazard Declaration: H226-H312-H314-H331

4.1 RIDADR: UN 2734

4.1 Safety Profile: Poison byintraperitoneal route. Moderately toxic byinhalation, ingestion, and skin contact. Asevere skin and eye irritant. Flammableliquid when exposed to heat or flame; canreact with oxidizing materials. To fight fire,use alcohol foam, CO2, dry chemical. Whenheated to decomposition it emits toxicfumes of NOx. 1-Methylpiperazine Preparation Products And Raw materials Preparation Products

4.2 Caution Statement: P261-P280-P305 + P351 + P338-P310

4.2 WGK Germany: 2

4.2 RTECS: TM1225000

4.2 Safety: Hazard Codes:T,F,C,Xi
Risk Statements:10-21-23-34-36/37/38
10:Flammable
21:Harmful in contact with skin
23:Toxic by inhalation
34:Causes burns
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:16-26-36/37/39-45-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36:Wear suitable protective clothing
RIDADR:UN 2734 8/PG 2
WGK Germany:2
HazardClass:3
PackingGroup:III
Hazard Note:Flammable/Toxic/Corrosive/Store under nitrogen
HS Code:29335995

4.3 Sensitive: Hygroscopic

4.4 Specification: clear liquid
Safety Statements:16-26-36/37/39-45-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36:Wear suitable protective clothing

4.5 Toxicity: LD50 orally in Rabbit: 2547 mg/kg LD50 dermal Rabbit 1341 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin corrosion, Category 1B

Skin sensitization, Category 1B

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H226 Flammable liquid and vapour H314 Causes severe skin burns and eye damage H317 May cause an allergic skin reaction H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P271 Use only outdoors or in a well-ventilated area.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

Mass spectrum (electron ionization)

7. Synthesis Route

109-01-3Total: 5 Synthesis Route

55-86-7 76 Suppliers

109-01-3 333 Suppliers

4097-88-5 25 Suppliers

Literatures:
Golding, Bernard T.; Kebbell, Michael J.; Lockhart, Ian M. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1987 , p. 705 - 714
Yield: null

109-83-1 146 Suppliers

109-01-3 333 Suppliers

106-58-1 93 Suppliers

110-70-3 130 Suppliers

Literatures:
Yakugaku Zasshi, , vol. 75, p. 1318,1319,1321 Chem.Abstr., , p. 10106
Yield: null

111-42-2 253 Suppliers

74-89-5

109-01-3 333 Suppliers

85771-07-9

Literatures:
Bou Chedid, Roland; Melder, Johann-Peter; Abel, Ulrich; Dostalek, Roman; Stein, Bernd Patent: US2013/324732 A1, 2013 ; Location in patent: Paragraph 0090-0093 ;
Yield: ~6%

View all

8. Precursor and Product

precursor:

124-40-3

111-42-2

334-22-5

55-86-7

821-48-7

109-83-1

67-56-1

product :

34770-60-0

3074-43-9

93288-86-9

89011-82-5

62040-85-1

934-98-5

16339-07-4

5028-17-1

40172-12-1

84-97-9

90-89-1

4572-03-6

41805-59-8

27001-68-9

5636-79-3

56915-80-1

5317-33-9

5464-12-0

63687-94-5

874-77-1

5430-77-3

1688-95-5

3563-46-0

19178-73-5

45813-02-3

View all

9. Other Information

9.0 Usage: 1-Methylpiperazine is used in the preparation of 2-(4-methyl-1-piperazinylmethyl)acrylophenone. It is involved in the preparation of 1-(4-methoxy-phenyl)-4-methyl-piperazine by reacting with 1-chloro-4-methoxy-benzene. It acts as an intermediate in the synthesis of active pharmaceutical ingredients like ofloxacin, rifampicin, clozapine, sildenafil, trifluoperazine and zopiclone. Further, it is used as a mimic template in the preparation of molecularly imprinted microspheres. In addition to this, it is used in the generation of difunctional strong anion-exchange stationary phase from a 1,4-diazacyclohexane derivative.

9.1 BRN: 102724

9.2 Chemical Properties: clear liquid

9.3 Uses: 1-Methylpiperazine is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP)

9.4 Hazard: Moderate fire risk.

9.5 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.

9.6 Fire Hazards: Corrosives, Flammable - 2nd degree

9.7 Mesh Entry Terms: 1-methylpiperazine

9.8 Manufacturing Info: All other chemical product and preparation manufacturing|Piperazine, 1-methyl-: ACTIVE

9.9 Use Classification: Fire Hazards -> Corrosives, Flammable - 2nd degree

10. Computational chemical data

Molecular Weight: 100.165g/mol
Molecular Formula: C₅H₁₂N₂
Compound Is Canonicalized: True
XLogP3-AA: -0.4
Exact Mass: 100.100048391
Monoisotopic Mass: 100.100048391
Complexity: 48
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 15.3
Heavy Atom Count: 7
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHAAQAAAAAADBAAQCAAPAAAAAAAAAAAAAAAAAAAAAAIAIAAAAQAAAAAAQAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

Applications of 1-Methylpiperazine Jan 26 2021
1-Methylpiperazine is a colorless liquid. The boiling point of 138℃ (140℃) and relative density of 0.903 (20/4℃), 1.4378 refractive index, a flash point of 42℃, soluble in water, ethyl ether, ethanol, water, methanol and other arbitrary than immiscible in water was alkaline. 1-Methylpiperazine ...

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1-Methylpiperazine

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2023/05/30

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1-Methylpiperazine