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54-91-1

54-91-1 structural image
Product Name: Pipobroman
Formula: C10H16Br2N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form CRYSTALS
Odor SLIGHTLY SHARP, FRUITY ODOR
Taste SLIGHT BITTER TASTE
Melting Point > 300 °C
Solubility 2490 mg/L
LogP 0.42
Stability/Shelf Life STABLE IN LIGHT & AIR
Kovats Retention Index 2030 2050

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H351:Carcinogenicity
H361:Reproductive toxicity
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 356.05 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 355.95580 g/mol
Monoisotopic Mass 353.95785 g/mol
Topological Polar Surface Area 40.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 227
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pipobroman is an N-acylpiperazine that is piperazine in which each of the nitrogens has been acylated by a 3-bromopropionoyl group. An anti-cancer drug. It has a role as an antineoplastic agent and an alkylating agent. It is a N-acylpiperazine, a tertiary carboxamide and an organobromine compound.