FURFURAL 98.5% AR/ACS

Name: FURFURAL 98.5% AR/ACS
Brand: Chempure
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CAS Number

98-01-1

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IUPAC name	furan-2-carbaldehyde
canonical smiles	C1=COC(=C1)C=O
inchi	InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
inchi key	HYBBIBNJHNGZAN-UHFFFAOYSA-N
molecular formula	C5H4O2
synonyms	FURFURAL 2-Furaldehyde furan-2-carbaldehyde 98-01-1 2-Furancarboxaldehyde
Compound Description	Furfural appears as colorless or reddish-brown mobile liquids with a penetrating odor. Flash points 140 °F. Denser than water and soluble in water. Vapors heavier than air. May be toxic by ingestion, skin absorption or inhalation. Furfural is an aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. It has a role as a Maillard reaction product and a metabolite. It is a member of furans and an aldehyde. It is functionally related to a furan. Furfural is a natural product found in Francisella tularensis, Angelica gigas, and other organisms with data available. 2-furancarboxaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae. A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group. See also: Chamomile .

Computed Properties

Molecular Weight:	96.08 g/mol
XLogP3:	0.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	96.021129366 g/mol
Monoisotopic Mass:	96.021129366 g/mol
Topological Polar Surface Area:	30.2 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	70.5
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	Acute Tox. 3 (100%) Acute Tox. 4 (99.95%) Skin Irrit. 2 (94.99%) Eye Irrit. 2A (100%) Acute Tox. 2 (12.26%) Acute Tox. 3 (87.79%) STOT SE 3 (100%) Carc. 2 (100%) Acute toxicity - category 3 Carcinogenicity - category 2 Skin irritation - category 2 Specific target organ toxicity (single exposure) - category 3 Eye irritation - category 2A Flammable liquids - Category 3 Acute toxicity (Oral) - Category 3 Acute toxicity (Dermal) - Category 3 Acute toxicity (Inhalation: Vapours) - Category 2 Skin corrosion/irritation - Category 2 Serious eye damage/eye irritation - Category 2A Carcinogenicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (respiratory organs, liver) Specific target organ toxicity - Repeated exposure - Category 1 (respiratory organs, liver) Hazardous to the aquatic environment (Acute) - Category 3 Specific target organ toxicity - Single exposure - Category 1 (respiratory system, liver) Specific target organ toxicity - Repeated exposure - Category 1 (respiratory system), Category 2 (liver) Hazardous to the aquatic environment (Long-term) - Category 3 Flammable - 2nd degree, Reactive - 1st degree Carc. 2 Acute Tox. 3 * Acute Tox. 4 * STOT SE 3 Skin Irrit. 2 Eye Irrit. 2
precautionary statement codes	P203, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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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	furan-2-carbaldehyde
canonical smiles	C1=COC(=C1)C=O
inchi	InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
inchi key	HYBBIBNJHNGZAN-UHFFFAOYSA-N
molecular formula	C5H4O2
synonyms	FURFURAL 2-Furaldehyde furan-2-carbaldehyde 98-01-1 2-Furancarboxaldehyde
Compound Description	Furfural appears as colorless or reddish-brown mobile liquids with a penetrating odor. Flash points 140 °F. Denser than water and soluble in water. Vapors heavier than air. May be toxic by ingestion, skin absorption or inhalation. Furfural is an aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. It has a role as a Maillard reaction product and a metabolite. It is a member of furans and an aldehyde. It is functionally related to a furan. Furfural is a natural product found in Francisella tularensis, Angelica gigas, and other organisms with data available. 2-furancarboxaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae. A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group. See also: Chamomile .

Computed Properties

Molecular Weight:	96.08 g/mol
XLogP3:	0.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	96.021129366 g/mol
Monoisotopic Mass:	96.021129366 g/mol
Topological Polar Surface Area:	30.2 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	70.5
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	Acute Tox. 3 (100%) Acute Tox. 4 (99.95%) Skin Irrit. 2 (94.99%) Eye Irrit. 2A (100%) Acute Tox. 2 (12.26%) Acute Tox. 3 (87.79%) STOT SE 3 (100%) Carc. 2 (100%) Acute toxicity - category 3 Carcinogenicity - category 2 Skin irritation - category 2 Specific target organ toxicity (single exposure) - category 3 Eye irritation - category 2A Flammable liquids - Category 3 Acute toxicity (Oral) - Category 3 Acute toxicity (Dermal) - Category 3 Acute toxicity (Inhalation: Vapours) - Category 2 Skin corrosion/irritation - Category 2 Serious eye damage/eye irritation - Category 2A Carcinogenicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (respiratory organs, liver) Specific target organ toxicity - Repeated exposure - Category 1 (respiratory organs, liver) Hazardous to the aquatic environment (Acute) - Category 3 Specific target organ toxicity - Single exposure - Category 1 (respiratory system, liver) Specific target organ toxicity - Repeated exposure - Category 1 (respiratory system), Category 2 (liver) Hazardous to the aquatic environment (Long-term) - Category 3 Flammable - 2nd degree, Reactive - 1st degree Carc. 2 Acute Tox. 3 * Acute Tox. 4 * STOT SE 3 Skin Irrit. 2 Eye Irrit. 2
precautionary statement codes	P203, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Product No: EE2314

FURFURAL 98.5% AR/ACS

Product No: EE2314

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Reviews

Product No: EE2314

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?