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Product No: AQ8958

2,4,6-Trihydroxybenzaldehyde, 95%

Name: 2,4,6-Trihydroxybenzaldehyde
Brand: Chempure

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CAS Number

487-70-7

Molecular Weight

154.12

Formula

C7H6O4

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About this item

IUPAC name	2,4,6-trihydroxybenzaldehyde
canonical smiles	C1=C(C=C(C(=C1O)C=O)O)O
inchi	InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H
inchi key	BTQAJGSMXCDDAJ-UHFFFAOYSA-N
molecular formula	C7H6O4
synonyms	2,4,6-Trihydroxybenzaldehyde 487-70-7 Phloroglucinaldehyde Benzaldehyde, 2,4,6-trihydroxy- Formylphloroglucinol
Compound Description	2,4,6-trihydroxybenzaldehyde is a carboxylic ester. It is functionally related to a phloroglucinol.

Computed Properties

Molecular Weight:	154.12 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	154.02660867 g/mol
Monoisotopic Mass:	154.02660867 g/mol
Topological Polar Surface Area:	77.8 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	135
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

Related Compounds

4-Hydroxybenzaldehyde

Phloroglucinol

Salicylaldehyde

Resacetophenone

2,4-Dihydroxybenzoic acid

2,4,6-Trihydroxybenzoic acid

2',4',6'-Trihydroxyacetophenone

2'-Hydroxyacetophenone

Orcinol

2,5-Dihydroxybenzaldehyde

2,3,4-Trihydroxybenzaldehyde

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Methyl 2,4-dihydroxybenzoate

Flopropione

2,4-Dihydroxybenzaldehyde

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

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	2,4,6-trihydroxybenzaldehyde
canonical smiles	C1=C(C=C(C(=C1O)C=O)O)O
inchi	InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H
inchi key	BTQAJGSMXCDDAJ-UHFFFAOYSA-N
molecular formula	C7H6O4
synonyms	2,4,6-Trihydroxybenzaldehyde 487-70-7 Phloroglucinaldehyde Benzaldehyde, 2,4,6-trihydroxy- Formylphloroglucinol
Compound Description	2,4,6-trihydroxybenzaldehyde is a carboxylic ester. It is functionally related to a phloroglucinol.

Computed Properties

Molecular Weight:	154.12 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	154.02660867 g/mol
Monoisotopic Mass:	154.02660867 g/mol
Topological Polar Surface Area:	77.8 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	135
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

Related Compounds

4-Hydroxybenzaldehyde

Phloroglucinol

Salicylaldehyde

Resacetophenone

2,4-Dihydroxybenzoic acid

2,4,6-Trihydroxybenzoic acid

2',4',6'-Trihydroxyacetophenone

2'-Hydroxyacetophenone

Orcinol

2,5-Dihydroxybenzaldehyde

2,3,4-Trihydroxybenzaldehyde

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Methyl 2,4-dihydroxybenzoate

Flopropione

2,4-Dihydroxybenzaldehyde

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AQ8958

2,4,6-Trihydroxybenzaldehyde, 95%

Product No: AQ8958

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AQ8958

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?