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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

Pyrroles

[1551432-13-3]
3,6-Bis(2,4-dimethyl-1-pyrrolyl)-1,2,4,5-tetrazine
[1227461-24-6]
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[168102-05-4]
Ethyl 3-Fluoropyrrole-2-carboxylate
[1263208-95-2]
Ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
[433267-55-1]
Ethyl 4-bromopyrrole-2-carboxylate
[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate

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