Basic information
- CAS
39539-66-7- Standard SMILES
CN1CCN(C(=O)Cl)CC1- InChIKey
FBAIGEMWTOSCRU-UHFFFAOYSA-N- Molecular formula
- C6H11ClN2O
- Average molar mass
- 162.62 g/mol
- Monoisotopic mass
- 162.05599065
Names & identifiers
- Preferred name
- 4-Methyl-1-piperazinecarbonyl chloride
- IUPAC
- 4-methylpiperazine-1-carbonyl chloride
- English name
- 4-Methylpiperazine-1-carbonyl chloride
- Molecular formula
- C6H11ClN2O
- Molecular weight
- 162.62
Names & synonyms
4-Methyl-1-piperazinecarbonyl chlorideRefChem:524959628-318-04-methylpiperazine-1-carbonyl Chloride39539-66-71-Piperazinecarbonyl chloride, 4-methyl-MFCD013205094-Methyl-piperazine-1-carbonyl chloride4-methylpiperazinecarbonyl chloride1-chlorocarbonyl-4-methylpiperazine4-Methylpierazine-1-carbonylchloride1-chlorocarbonyl-4-methyl-piperazine
Show more names
SURI-006Zopiclone Impurity 94-METHYLPIPERZINE-1-CARBONYL CHLORIDE
4-Methylpiperazine-1-carbonylchlorideMETHYL PIPERAZINE CARBAMOYL CHLORIDE4-METHYL-1-CHLOROCARBONYL PIPERAZINEWVQ4QV36ETSCHEMBL19486DTXSID303885001-chlorocarbonyl-4methylpiperazine1-methyl-4-chloroformyl-piperazine
Database identifiers
- CAS
39539-66-7- PubChem CID
- 3016935
- DTXSID
DTXSID30388500- UNII
- WVQ4QV36ET
- EC Number
- 628-318-0
- Nikkaji
- J323.125I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 225 · 225-228 °C(lit.)
- Boiling point
- 278 · 278-279 °C(lit.)
- Density
- 1.2 g/mL · 1.200 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4980(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 6.61 · 6.61±0.10(Predicted)
- color
- Colorless to brown
- InChI
- 1S/C6H11ClN2O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3
- InChIKey
- FBAIGEMWTOSCRU-UHFFFAOYSA-N
- SMILES
- CN1CCN(CC1)C(Cl)=O
- CAS DataBase Reference
- 39539 · 39539-66-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses4-Methyl-1-piperazinecarbonyl chloride can be synthesized from 1-methylpiperazine by reacting with phosgene.
General Description4-Methyl-1-piperazinecarbonyl chloride can be synthesized from 1-methylpiperazine by reacting with phosgene.
Suppliers48 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
67 records
Compound notes
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