CAS 40340-73-6 2-Chloro-1-(4-methylpiperazin-1-yl)ethanone (HCID 818173)

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Basic information

CAS: 40340-73-6
Standard SMILES: CN1CCN(C(=O)CCl)CC1
InChIKey: OTHMDVZIZBUTIE-UHFFFAOYSA-N
Molecular formula: C7H13ClN2O
Average molar mass: 176.64 g/mol

Names & identifiers

Preferred name: 2-Chloro-1-(4-methylpiperazin-1-yl)ethanone
IUPAC: 2-chloro-1-(4-methylpiperazin-1-yl)ethanone
English name: 1-(2-Chloroacetyl)-4-methyl-piperazine HCl
Molecular formula: C7H13ClN2O
Molecular weight: 176.64

Names & synonyms

40340-73-62-chloro-1-(4-methylpiperazin-1-yl)ethanone2-Chloro-1-(4-methyl-piperazin-1-yl)-ethanone1-(chloroacetyl)-4-methylpiperazine2-chloro-1-(4-methylpiperazin-1-yl)ethan-1-oneMFCD002970292-chloro-1-(4-methylpiperazinyl)ethan-1-one1-(2-chloroacetyl)-4-methyl-piperazinehydrochloridePiperazine, 1-(chloroacetyl)-4-methyl-SCHEMBL318820CHEMBL23382941-chloroacetyl-4-methylpiperazine

Show more names

2-CHLORO-1-(4-METHYL-PIPERAZIN-1-YL)-ETHANONE HCLZinc003328411-(2-Chloroacetyl)-4-methyl-pipera1-(2-Chloroacetyl)-4-methyl-piperazine1-(chloroacetyl)-4-methylpiperazineHCl1-(2-Chloroacetyl)-4-methyl-piperazine HCl2-Chloro-1-(4-methyl-1-piperazinyl)ethanone1-(2-CHLOROACETYL)-4-METHYL-PIPERAZINE X HCLEthanone, 2-chloro-1-(4-methyl-1-piperazinyl)-2-Chloro-1-(4-methyl-1-piperazinyl)ethanone HCl

OTHMDVZIZBUTIE-UHFFFAOYSA-NBBL028491EBC-81021SBB010603STK870522AKOS000263950NCGC00660902-01VS-08795

Database identifiers

CAS: 40340-73-6
PubChem CID: 818173
ChEMBL: CHEMBL2338294
EC Number: 673-877-6

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 195.5 · 195.5~196℃
Boiling point: 278.4 · 278.4±35.0 °C(Predicted)
Density: 1.168 · 1.168±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 6.69 · 6.69±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362