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Product No: AB2527

1H-Pyrrole-2-carbaldehyde, 99%

Name: 1H-Pyrrole-2-carbaldehyde
Brand: Chempure

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CAS Number

1003-29-8

Molecular Weight

95.1

Formula

C5H5NO

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About this item

IUPAC name	1H-pyrrole-2-carbaldehyde
canonical smiles	C1=CNC(=C1)C=O
inchi	InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
inchi key	ZSKGQVFRTSEPJT-UHFFFAOYSA-N
molecular formula	C5H5NO
synonyms	1H-Pyrrole-2-carbaldehyde PYRROLE-2-CARBOXALDEHYDE 1003-29-8 2-Formylpyrrole 1H-Pyrrole-2-carboxaldehyde
Compound Description	Pyrrole-2-carboxaldehyde is a pyrrole carrying a formyl substituent at the 2-position. It is a member of pyrroles and a 1,3-thiazole-2-carbaldehyde. Pyrrole-2-carboxaldehyde is a natural product found in Capparis spinosa, Nicotiana tabacum, and other organisms with data available.

Computed Properties

Molecular Weight:	95.10 g/mol
XLogP3:	0.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	95.037113783 g/mol
Monoisotopic Mass:	95.037113783 g/mol
Topological Polar Surface Area:	32.9 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	72.5
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

Related Compounds

Proline

Methimazole

Pyrrole

2-Pyrrolidinone

Ethylene thiourea

(2S)-pyrrolidin-1-ium-2-carboxylate

Pyrrolidine

2-Piperidone

2,4-Thiazolidinedione

1-Methylpyrrole-2-carboxaldehyde

2-Hydroxypyridine

2-Propylpiperidine

Pipecolic acid

Coniine

4-Imidazolone

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (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]
hazards summary	A skin and strong eye irritant.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*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	1H-pyrrole-2-carbaldehyde
canonical smiles	C1=CNC(=C1)C=O
inchi	InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
inchi key	ZSKGQVFRTSEPJT-UHFFFAOYSA-N
molecular formula	C5H5NO
synonyms	1H-Pyrrole-2-carbaldehyde PYRROLE-2-CARBOXALDEHYDE 1003-29-8 2-Formylpyrrole 1H-Pyrrole-2-carboxaldehyde
Compound Description	Pyrrole-2-carboxaldehyde is a pyrrole carrying a formyl substituent at the 2-position. It is a member of pyrroles and a 1,3-thiazole-2-carbaldehyde. Pyrrole-2-carboxaldehyde is a natural product found in Capparis spinosa, Nicotiana tabacum, and other organisms with data available.

Computed Properties

Molecular Weight:	95.10 g/mol
XLogP3:	0.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	95.037113783 g/mol
Monoisotopic Mass:	95.037113783 g/mol
Topological Polar Surface Area:	32.9 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	72.5
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

Related Compounds

Proline

Methimazole

Pyrrole

2-Pyrrolidinone

Ethylene thiourea

(2S)-pyrrolidin-1-ium-2-carboxylate

Pyrrolidine

2-Piperidone

2,4-Thiazolidinedione

1-Methylpyrrole-2-carboxaldehyde

2-Hydroxypyridine

2-Propylpiperidine

Pipecolic acid

Coniine

4-Imidazolone

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (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]
hazards summary	A skin and strong eye irritant.

Product No: AB2527

1H-Pyrrole-2-carbaldehyde, 99%

Product No: AB2527

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: AB2527

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?