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75-99-0

75-99-0 structural image
Product Name: 2,2-Dichloropropionic acid
Formula: C3H4Cl2O2
Synonyms: 2,2-Dichloropropionic acid;Dalapon
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,2-dichloropropionic acid appears as a colorless liquid. Soluble in water. Corrosive to metals and tissue. Used as a herbicide.
Color/Form Liquid
Odor Acrid odor.
Boiling Point 374 °F at 760 mmHg (USCG, 1999)
Melting Point 46 °F (USCG, 1999)
Solubility 50 % (NIOSH, 2023)
Density 1.4 (NIOSH, 2023) - Denser than water; will sink
Vapor Density 4.9 (USCG, 1999) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 5.07 mmHg at 160 °F (USCG, 1999)
LogP log Kow= 0.78
Henry's Law Constant Henry's Law constant= 6.4X10-8 atm-cu m/mole at 25 °C /Estimated/
Stability/Shelf Life Subject to hydrolysis; slight at 25 °C, but comparatively rapid >/=50 °C; so aqueous solutions should not be kept for any length of time. Alkali causes dehydrochlorination above 120 °C.
Decomposition When heated to decomposition it emits toxic fumes of /hydrgen chloride/.
Corrosivity Corrosive to iron
pH (Aq): 1.32 (0.099 N, 23 °C)
Odor Threshold 2,500 mg/cu m
Refractive Index Index of refraction: 1.4551 @ 20 °C
Dissociation Constants pKa average = 1.74 at 0.001 to 0.1 molarity of the acid and 1.84 at 0.05 ionic strength
Other Experimental Properties Salty taste /Sodium salt/
Chemical Classes Pesticides -> Herbicides, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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 142.97 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 141.9588348 g/mol
Monoisotopic Mass 141.9588348 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 88.9
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

2,2-dichloropropionic acid appears as a colorless liquid. Soluble in water. Corrosive to metals and tissue. Used as a herbicide.