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Product No: AB0456

Chloroacetaldehyde, 45 wt% in water

Name: Chloroacetaldehyde
Brand: Chempure

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CAS Number

107-20-0

Molecular Weight

78.50

Formula

ClCH2CHO

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IUPAC name	2-chloroacetaldehyde
canonical smiles	C(C=O)Cl
inchi	InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
inchi key	QSKPIOLLBIHNAC-UHFFFAOYSA-N
molecular formula	C2H3ClO
synonyms	CHLOROACETALDEHYDE 2-chloroacetaldehyde 107-20-0 Chloroethanal 2-Chloroethanal
Compound Description	2-chloroethanal appears as a clear colorless liquid with a pungent odor. Flash point about 190 °F. Corrosive to skin and mucous membranes. It is very toxic by inhalation. Chloroacetaldehyde is acetaldehyde substituted at C-2 by chlorine. It is functionally related to an acetaldehyde. Being bifunctional, chloroacetaldehyde is a versatile precursor to many heterocyclic compounds. It condenses with thiourea derivatives to give aminothiazoles. This reaction was once important as a precursor to sulfathiazole, one of the first sulfa drugs. Chloroacetaldehyde is the organic compound with the formula ClCH2CHO. Like some related compounds, it is highly electrophilic reagent and a potentially dangerous alkylating agent. The compound is not normally encountered in the anhydrous form, but rather as the hydrate , ClCH2CH2. Chloroacetaldehyde is a useful intermediate in the synthesis, e.g. of 2-aminothiazole or many pharmaceutical compounds. Another use is to facilitate bark removal from tree trunks.

Computed Properties

Molecular Weight:	78.50 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	77.9872424 g/mol
Monoisotopic Mass:	77.9872424 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	4
Formal Charge:	0
Complexity:	20
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

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (70.37%) Acute Tox. 3 (100%) Skin Corr. 1B (100%) Acute Tox. 2 (100%) Carc. 2 (100%) Aquatic Acute 1 (100%) Acute toxicity (ingestion) - category 3 Acute toxicity (dermal) - category 2 Acute toxicity (inhalation) - category 2 Carcinogenicity - category 2 Skin corrosion - category 1B Hazardous to the aquatic environment (acute) - category 1 Specific target organ toxicity (single exposure) - category 3 Flammable liquids - Category 4 Acute toxicity (Oral) - Category 3 Acute toxicity (Dermal) - Category 2 Acute toxicity (Inhalation: Vapours) - Category 1 Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Carcinogenicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (respiratory system, systemic toxicity) Specific target organ toxicity - Repeated exposure - Category 2 (liver) Hazardous to the aquatic environment (Acute) - Category 2 Hazardous to the aquatic environment (Long-term) - Category 2 Acute toxicity (Oral) - Category 2 Acute toxicity (Inhalation: Vapours) - Category 2 Skin corrosion/irritation - Category 1A-1C Specific target organ toxicity - Single exposure - Category 2 (respiratory system) Flammable - 2nd degree Carc. 2 Acute Tox. 2 * Acute Tox. 3 * Skin Corr. 1B Aquatic Acute 1
precautionary statement codes

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-chloroacetaldehyde
canonical smiles	C(C=O)Cl
inchi	InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
inchi key	QSKPIOLLBIHNAC-UHFFFAOYSA-N
molecular formula	C2H3ClO
synonyms	CHLOROACETALDEHYDE 2-chloroacetaldehyde 107-20-0 Chloroethanal 2-Chloroethanal
Compound Description	2-chloroethanal appears as a clear colorless liquid with a pungent odor. Flash point about 190 °F. Corrosive to skin and mucous membranes. It is very toxic by inhalation. Chloroacetaldehyde is acetaldehyde substituted at C-2 by chlorine. It is functionally related to an acetaldehyde. Being bifunctional, chloroacetaldehyde is a versatile precursor to many heterocyclic compounds. It condenses with thiourea derivatives to give aminothiazoles. This reaction was once important as a precursor to sulfathiazole, one of the first sulfa drugs. Chloroacetaldehyde is the organic compound with the formula ClCH2CHO. Like some related compounds, it is highly electrophilic reagent and a potentially dangerous alkylating agent. The compound is not normally encountered in the anhydrous form, but rather as the hydrate , ClCH2CH2. Chloroacetaldehyde is a useful intermediate in the synthesis, e.g. of 2-aminothiazole or many pharmaceutical compounds. Another use is to facilitate bark removal from tree trunks.

Computed Properties

Molecular Weight:	78.50 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	77.9872424 g/mol
Monoisotopic Mass:	77.9872424 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	4
Formal Charge:	0
Complexity:	20
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

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (70.37%) Acute Tox. 3 (100%) Skin Corr. 1B (100%) Acute Tox. 2 (100%) Carc. 2 (100%) Aquatic Acute 1 (100%) Acute toxicity (ingestion) - category 3 Acute toxicity (dermal) - category 2 Acute toxicity (inhalation) - category 2 Carcinogenicity - category 2 Skin corrosion - category 1B Hazardous to the aquatic environment (acute) - category 1 Specific target organ toxicity (single exposure) - category 3 Flammable liquids - Category 4 Acute toxicity (Oral) - Category 3 Acute toxicity (Dermal) - Category 2 Acute toxicity (Inhalation: Vapours) - Category 1 Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Carcinogenicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (respiratory system, systemic toxicity) Specific target organ toxicity - Repeated exposure - Category 2 (liver) Hazardous to the aquatic environment (Acute) - Category 2 Hazardous to the aquatic environment (Long-term) - Category 2 Acute toxicity (Oral) - Category 2 Acute toxicity (Inhalation: Vapours) - Category 2 Skin corrosion/irritation - Category 1A-1C Specific target organ toxicity - Single exposure - Category 2 (respiratory system) Flammable - 2nd degree Carc. 2 Acute Tox. 2 * Acute Tox. 3 * Skin Corr. 1B Aquatic Acute 1
precautionary statement codes

Product No: AB0456

Chloroacetaldehyde, 45 wt% in water

Product No: AB0456

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AB0456

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?