2-Acetylpyrrole - CAS 1072-83-9

Catalog:	BB002020
Product Name:	2-Acetylpyrrole
CAS:	1072-83-9
Synonyms:	1-(1H-pyrrol-2-yl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(1H-pyrrol-2-yl)ethanone
Description:	2-Acetylpyrrole (CAS# 1072-83-9) is a useful research chemical.
Molecular Weight:	109.13
Molecular Formula:	C6H7NO
Canonical SMILES:	CC(=O)C1=CC=CN1
InChI:	InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChI Key:	IGJQUJNPMOYEJY-UHFFFAOYSA-N
Boiling Point:	220 °C
Melting Point:	90 °C
Purity:	98 %
Density:	1.099 g/cm³
Solubility:	1.759e+004 mg/L at 25 °C (est)
Appearance:	White to beige crystalline powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00005220
LogP:	1.21730

Publication Number	Title	Priority Date
CN-113308384-A	Cordyceps sinensis strain and application thereof	20210715
CN-113208085-A	Low-temperature stir-frying-free beef tallow hotpot condiment and preparation method thereof	20210531
CN-113125598-A	Quality control method of volatile components of Xiaochaihu granules	20210409
CN-112956732-A	Tobacco lysate and preparation method thereof	20210402
JP-6950118-B1	Non-combustion heating type flavor suction articles and non-combustion heating type flavor suction products	20210331

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22871255	20120912	Antioxidant activities of extracts from teas prepared from medicinal plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata , and their volatile components	Journal of agricultural and food chemistry
21902275	20111104	Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms	The Journal of organic chemistry
21364047	20110201	Key aroma components of a dry-cured sausage with high fat content (sobrassada)	Food science and technology international = Ciencia y tecnologia de los alimentos internacional
20945506	20110130	Changes in volatile compounds upon aging and drying in oolong tea production	Journal of the science of food and agriculture

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Pyrroles

[1375064-62-2]
Ethyl 2-Bromopyrrole-1-carboxylate
[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[2368945-96-2]
N-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
[1290536-79-6]
1,1-Dimethylethyl N-[(5S,8S,10aR)-8-[[(diphenylmethyl)amino]carbonyl]decahydro-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]carbamate
[73286-70-1]
N-Boc-2,5-dihydro-1H-pyrrole

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P321, P332+P313, and P362
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.052763847
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9