3',5'-Dimethylacetophenone - CAS 5379-16-8

Name: 3',5'-Dimethylacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028349
Product Name:	3',5'-Dimethylacetophenone
CAS:	5379-16-8
Synonyms:	1-(3,5-dimethylphenyl)ethanone; 1-(3,5-dimethylphenyl)ethanone

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Computed Properties

IUPAC Name:	1-(3,5-dimethylphenyl)ethanone
Description:	3',5'-Dimethylacetophenone (CAS# 5379-16-8) is a useful research chemical compound.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CC1=CC(=CC(=C1)C(=O)C)C
InChI:	InChI=1S/C10H12O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,1-3H3
InChI Key:	BKIHFZLJJUNKMZ-UHFFFAOYSA-N
Boiling Point:	98-100 °C / 8 mmHg
MDL:	MFCD01075693
LogP:	2.50600

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

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GHS Hazard Statement:	H227 (50%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021110472-A1	Process for preparing amines over a copper catalyst	20191203
CN-110872328-A	Red phosphorescent compound and organic electroluminescent device using the same	20191015
WO-2021059269-A1	Assembly of protein complexes on a chip	20190925
CN-110724168-A	Red phosphorescent compound and organic electroluminescent device using the same	20190909
CN-110746464-A	Red phosphorescent compound and organic electroluminescent device using the same	20190909

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4