N-(5-Chloro-2-methylphenyl)piperazine

HCID 693767

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Basic information

CAS: 76835-20-6
Standard SMILES: Cc1ccc(Cl)cc1N1CCNCC1
InChIKey: FVDJRHNUZNLRJC-UHFFFAOYSA-N
Molecular formula: C11H15ClN2
Average molar mass: 210.7 g/mol
Monoisotopic mass: 210.09237616

Names & identifiers

Preferred name: N-(5-Chloro-2-methylphenyl)piperazine
IUPAC: 1-(5-chloro-2-methylphenyl)piperazine
English name: 1-(5-Chloro-2-methylphenyl)piperazine
Molecular formula: C11H15ClN2
Molecular weight: 210.7

Names & synonyms

1-(5-chloro-2-methylphenyl)piperazine76835-20-6Piperazine, 1-(5-chloro-2-methylphenyl)-N-(5-Chloro-2-methylphenyl)piperazineZTJ246H8JVEINECS 278-560-24-(2-methyl-5-chlorophenyl)piperazine1-(5-Chloro-o-tolyl)piperazineDTXSID80227652RefChem:828139DTXCID30150143278-560-2

Show more names

AKOS BBS-00003583TIMTEC-BB SBB003438LABOTEST-BB LTBB000768N-(5-CHLORO-2-METHYLPHENYL)-PIPERAZINE1-(5-Chloro-2-methylphenyl)-piperazine,98%1-(5-Chloro-2-methylphenyl)piperazine ,97.5%1-(5-Chloro-2-Methylphenyl)-piperazine, 98% 50GR

Piperazine,1-(5-chloro-2-methylphenyl)-MFCD00087128UNII-ZTJ246H8JVEN300-18966(5-chloro-2-methylphenyl)piperazine1-(5-chloro-2-methylphenyl)-piperazine1-(5-chloro-2-methyl-phenyl)piperazineOprea1_678325

Database identifiers

CAS: 76835-20-6
PubChem CID: 693767
DTXSID: DTXSID80227652
ChEMBL: CHEMBL5489631
UNII: ZTJ246H8JV
EC Number: 278-560-2
Nikkaji: J267.444K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 342.56 °C · 342.56°C (rough estimate)
Density: 1.1197 · 1.1197 (rough estimate)
refractive index: 1.573 · 1.573-1.576
storage temp.: Store at Room Tem.
pka: 8.85 · 8.85±0.10(Predicted)
Appearance: colorless liquid
CAS DataBase Reference: 76835 · 76835-20-6(CAS DataBase Reference)
FDA UNII: 246 H8JV · ZTJ246H8JV
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H312-H314
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 29339900
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xi
safety_code: 37/39-26
Hazard statements: H302-H312-H314
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501