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Product No: AW9447

3-Hydroxybenzaldehyde, 98%

Name: 3-Hydroxybenzaldehyde
Brand: Chempure

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CAS Number

100-83-4

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IUPAC name	3-hydroxybenzaldehyde
canonical smiles	C1=CC(=CC(=C1)O)C=O
inchi	InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
inchi key	IAVREABSGIHHMO-UHFFFAOYSA-N
molecular formula	C7H6O2
synonyms	3-hydroxybenzaldehyde 100-83-4 m-Hydroxybenzaldehyde Benzaldehyde, 3-hydroxy- m-Formylphenol
Compound Description	3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3. 3-Hydroxybenzaldehyde is a natural product found in Penicillium solitum, Zizania aquatica, and other organisms with data available.

Computed Properties

Molecular Weight:	122.12 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	122.036779430 g/mol
Monoisotopic Mass:	122.036779430 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	101
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

Phenol

4-Chloro-3-methylphenol

m-Cresol

Benzonitrile

Protocatechualdehyde

4-Hydroxybenzaldehyde

Salicylaldehyde

Styrene oxide

Chloroxylenol

2,5-Dimethylphenol

3,4-Dimethylphenol

2,4,5-Trichlorophenol

3-Aminobenzamide

3-Hydroxybenzoic acid

4-Methylbenzaldehyde

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (91.38%) Eye Irrit. 2 (98.28%) STOT SE 3 (89.66%)
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 (91.38%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.28%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (89.66%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See p-Hydroxybenzaldehyde and Benzaldehyde.

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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	3-hydroxybenzaldehyde
canonical smiles	C1=CC(=CC(=C1)O)C=O
inchi	InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
inchi key	IAVREABSGIHHMO-UHFFFAOYSA-N
molecular formula	C7H6O2
synonyms	3-hydroxybenzaldehyde 100-83-4 m-Hydroxybenzaldehyde Benzaldehyde, 3-hydroxy- m-Formylphenol
Compound Description	3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3. 3-Hydroxybenzaldehyde is a natural product found in Penicillium solitum, Zizania aquatica, and other organisms with data available.

Computed Properties

Molecular Weight:	122.12 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	122.036779430 g/mol
Monoisotopic Mass:	122.036779430 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	101
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

Phenol

4-Chloro-3-methylphenol

m-Cresol

Benzonitrile

Protocatechualdehyde

4-Hydroxybenzaldehyde

Salicylaldehyde

Styrene oxide

Chloroxylenol

2,5-Dimethylphenol

3,4-Dimethylphenol

2,4,5-Trichlorophenol

3-Aminobenzamide

3-Hydroxybenzoic acid

4-Methylbenzaldehyde

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (91.38%) Eye Irrit. 2 (98.28%) STOT SE 3 (89.66%)
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 (91.38%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.28%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (89.66%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See p-Hydroxybenzaldehyde and Benzaldehyde.

Product No: AW9447

3-Hydroxybenzaldehyde, 98%

Product No: AW9447

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: AW9447

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?