77-36-1

Product Name: Chlortalidone

Formula: C14H11ClN2O4S

Synonyms: 2-Chloro-5(1-hydroxy-3-oxo-1- isoindolinyl) benzenesulfonamide;2-Chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)benzenesulfonamide;Chlortalidone

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Solid
Color/Form	Crystals from 50% acetic acid
Melting Point	239 °C
Solubility	120 mg/L (at 20 °C)
LogP	0.85
Collision Cross Section	166.7 Å² [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties	Can form monohydrate

SAFETY INFORMATION

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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	338.8 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	338.0128057 g/mol
Monoisotopic Mass	338.0128057 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	564
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes