Acetic acid, chloro-

Acetic acid, chloro-
Compound Structure:
Synonyms: chloroacetic acid;Monochloroacetic acid;79-11-8;2-chloroacetic acid;Chloracetic acid;Chloroethanoic acid;Acetic acid, chloro-;Acide chloracetique;Monochloroethanoic acid;Monochloracetic acid;Monochloorazijnzuur;Monochloressigsaeure
Compound ID: NMPC-548
PubChem ID:

300
Molecular Formula: C2H3ClO2
Canonical SMILES: C(C(=O)O)Cl
InChIKey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
About the compound:

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. Chloroacetic acid, solution is a colorless solution of the white crystalline solid. The acid concentration can be up to 80%. It is toxic by inhalation, ingestion and skin contact. It is corrosive to metals and tissue. It is used as an herbicide, preservative and bacteriostat. Chloroacetic acid is a chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. It has a role as an alkylating agent and a herbicide. It is a chlorocarboxylic acid and a haloacetic acid. It is functionally related to an acetic acid. It is a conjugate acid of a chloroacetate.

GHS Hazard Statements

• H301: Toxic if swallowed [Danger Acute toxicity, oral]

• H311: Toxic in contact with skin [Danger Acute toxicity, dermal]

• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

• H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

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

37.3Ų

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

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.

Boiling Point

372 °F at 760 mmHg (EPA, 1998)

Melting Point

145 °F (EPA, 1998)

Density

1.4043 at 104 °F (EPA, 1998)

Solubility 

Soluble in ethanol, diethyl ether, benzene, chloroform; slightly soluble in carbon tetrachloride

Vapor Pressure

1 mmHg at 109.4 °F (EPA, 1998)

Source: PubChem
Source Species: Elaeis guineensis
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