1-(3-Chlorobenzoyl)piperazine 2,2,2-Trifluoroacetate - CAS 1216699-97-6
Catalog: |
BB005238 |
Product Name: |
1-(3-Chlorobenzoyl)piperazine 2,2,2-Trifluoroacetate |
CAS: |
1216699-97-6 |
Synonyms: |
(3-chlorophenyl)-(1-piperazinyl)methanone;2,2,2-trifluoroacetic acid; (3-chlorophenyl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid |
IUPAC Name: | (3-chlorophenyl)-piperazin-1-ylmethanone |
Description: | 1-(3-Chlorobenzoyl)piperazine 2,2,2-Trifluoroacetate (CAS# 1216699-97-6 ) is a useful research chemical. |
Molecular Weight: | 338.71 |
Molecular Formula: | C13H14ClF3N2O3 |
Canonical SMILES: | C1CN(CCN1)C(=O)C2=CC(=CC=C2)Cl.C(=O)(C(F)(F)F)O |
InChI: | InChI=1S/C11H13ClN2O.C2HF3O2/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14;3-2(4,5)1(6)7/h1-3,8,13H,4-7H2;(H,6,7) |
InChI Key: | NNQGVVDJPUNHSH-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0716407 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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