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79-11-8

79-11-8 structural image
Product Name: Chloroacetic acid
Formula: C2H3ClO2
Synonyms: Chloroacetic acid;Monochloroacetic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Chloroacetic acid, solid is a colorless to light-brown crystalline material. It is soluble in water and sinks in water. Combustible. It is transported as a molten liquid and therefore can cause thermal burns. It is toxic by ingestion, skin absorption and inhalation of dust. It is corrosive to metals and tissue.
Color/Form Monoclinic prisms
Odor Strong vinegar-like odor
Boiling Point 372 °F at 760 mmHg (EPA, 1998)
Melting Point 145 °F (EPA, 1998)
Flash Point 302 °F (EPA, 1998)
Solubility greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
Density 1.4043 at 104 °F (EPA, 1998) - Denser than water; will sink
Vapor Density 3.26 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1 mmHg at 109.4 °F (EPA, 1998)
LogP log Kow = 0.22
Henry's Law Constant Henry's Law constant = 9.26X10-9 atm-cu m/mole at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature >932 °F (>500 °C)
Decomposition Hazardous decomposition products formed under fire conditions: Carbon oxides, hydrogen chloride gas.
Corrosivity ...extremely corrosive and will cause serious chemical burns.
Heat of Combustion -715.9 kJ/mol (alpha-chloroacetic acid)
Heat of Vaporization 250 Btu/Lb = 139 cal/g = 5.82X10+5 J/kg
Surface Tension 35.17 dyn/cm at 100 °C
Odor Threshold Odor Threshold Low: 0.04 [mmHg] Odor Threshold High: 6.14 [mmHg] [HSDB] Odor threshold from CHEMINFO
Refractive Index Index of refraction: 1.4351 at 55 °C/D
Dissociation Constants pKa = 2.87
Other Experimental Properties /Chloroacetic acid occurs in/ monoclinically prismatic structures existing in the alpha, beta, gamma, and also possibly the delta form. Of these the alpha form is the most stable and the most important industrially.
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H314:Skin corrosion/irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 94.50 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 93.9821570 g/mol
Monoisotopic Mass 93.9821570 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 42.9
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

Chloroacetic acid, solid is a colorless to light-brown crystalline material. It is soluble in water and sinks in water. Combustible. It is transported as a molten liquid and therefore can cause thermal burns. It is toxic by ingestion, skin absorption and inhalation of dust. It is corrosive to metals and tissue.

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