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2113-05-5

2113-05-5 structural image
Product Name: 1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE
Formula: C8H11Cl2N5
Synonyms: m-CPBG hydrochloride;N-(3-Chlorophenyl)imidodicarbonimidic diamide hydrochloride;1-(m-Chlorophenyl)biguanide hydrochloride
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >37.2 [ug/mL] (The mean of the results at pH 7.4)

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 248.11 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 247.0391508 g/mol
Monoisotopic Mass 247.0391508 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 246
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 2
Compound Is Canonicalized Yes