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125440-98-4

125440-98-4 structural image
Product Name: CHLORAMPHENICOL-[RING-3,5-3H]
Formula: C11H12Cl2N2O5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Needles or elongated plates from water or ethylene dichloride; [HSDB]
Color/Form Needles or elongated plates from water or ethylene dichloride
Taste Bitter to taste
Boiling Point Sublimes in high vacuum
Melting Point 171
Solubility 2500 mg/L (at 25 °C)
LogP 1.14
LogS -2.11
Stability/Shelf Life Stable under recommended storage conditions.
Optical Rotation Crystals from benzene. MP 90 °C. Practically tasteless. Specific optical rotation: +24.6 deg at 26 °C/D (c= 5 in ethanol), UV max (ethanol): 271 nm (E(1%)(1cm) 179). Very slightly soluble in water (1.05 mg/mL at 28 °C); petroleum ether (0.225 mg/mL). Freely soluble in methanol, ethanol, chloroform, ether, benzene. /Chloramphenicol palmitate/
Decomposition When heated to decomposition it emits very toxic fumes of /nitrogen oxides and chloride/.
pH Neutral to litmus
Caco2 Permeability -4.69
Collision Cross Section 163.9 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2310 2310
Other Experimental Properties Aqueous solutions are neutral. Neutral and acid solutions are stable on heating.
Chemical Classes Other Uses -> Pharmaceuticals

COMPUTED DESCRIPTORS

Molecular Weight 323.13 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 322.0123269 g/mol
Monoisotopic Mass 322.0123269 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 342
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Chloramphenicol is an organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions. It has a role as an antimicrobial agent, an antibacterial drug, a protein synthesis inhibitor, an Escherichia coli metabolite, a Mycoplasma genitalium metabolite and a geroprotector. It is an organochlorine compound, a diol, a C-nitro compound and a carboxamide.