9-Acetylanthracene

HCID 69911

Notes Reactions

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Basic information

CAS: 784-04-3
Standard SMILES: CC(=O)c1c2ccccc2cc2ccccc12
InChIKey: NXXNVJDXUHMAHU-UHFFFAOYSA-N
Molecular formula: C16H12O
Average molar mass: 220.26 g/mol
Monoisotopic mass: 220.088815

Names & identifiers

Preferred name: 9-Acetylanthracene
IUPAC: 1-anthracen-9-ylethanone
English name: 9-Acetylanthracene
Molecular formula: C16H12O
Molecular weight: 220.27

Names & synonyms

9-Acetylanthracene784-04-39-Anthryl methyl ketoneNSC-1143NSC-13246ML7NJ26MBPDTXSID90229061RefChem:1074920DTXCID10151552212-315-21-(anthracen-9-yl)ethanone1-anthracen-9-ylethanone

Show more names

Vitamin D2 Impurity 59-Acetylanthracene,95%AURORA KA-73019-Acetylanthracen9-Anthrylmethylketone

9-AcetoanthraceneEthanone, 1-(9-anthracenyl)-9-acetylantracene1-(9-Anthryl)ethanone1-(anthracen-9-yl)ethan-1-oneKetone, 9-anthryl methylMFCD000012599-Acetylanthrancene

Database identifiers

CAS: 784-04-3
PubChem CID: 69911
DTXSID: DTXSID90229061
UNII: ML7NJ26MBP
EC Number: 212-315-2
Nikkaji: J79.951C

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 274

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP3.6

Physicochemical properties

Melting point: 75 · 75-76 °C (lit.)
Boiling point: 321.21 °C · 321.21°C (rough estimate)
Density: 1.0588 · 1.0588 (rough estimate)
refractive index: 1.58 · 1.5800 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly, Sonicated), Water (Slightly)
form: Crystalline Powder
color: Yellow to yellow-brown
Water Solubility: Insoluble in water.
BRN: 1370056 · 1370056
InChI: InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
InChIKey: NXXNVJDXUHMAHU-UHFFFAOYSA-N
SMILES: C(=O)(C1C2=CC=CC=C2C=C2C=1C=CC=C2)C
CAS DataBase Reference: 784 · 784-04-3(CAS DataBase Reference)
FDA UNII: 7 NJ26MBP · ML7NJ26MBP
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P261
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29143900 · 29143900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29143900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P280-P261

Chemistry & industry

Applications · 2 items

Uses9-Acetylanthracene is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.

Uses9-Acetylanthracene is used in the synthesis of luminescent moieties such as (9-anthryl)pyrazole (ANP) and 2,2-difluoro-4-(9-anthracyl)-6-methyl-1,3,2-dioxaborine. It is also used as a carrier ligand in the synthesis of fluorescent platinum(II) compounds.

Upstream & downstream products

Upstream raw materials

Ethanone,1-(9-anthracenyl)-2-bromo-9-Bromoanthracene Anthracene, 9-(1-methylethenyl)-9-Ethynyl-anthracene 9-Vinylanthracene Acetyl chloride Anthracene Anthraquinone Acetic anhydride Acetic acid

Suppliers89 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

3 records

New reaction record

HRID 254133As reactantuspto-grants-2011_01

HRID 1115732As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1198048As reactantuspto-grants-1994_01

Compound notes

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