9(10H)-ACRIDONE
- Iupac Name：10H-acridin-9-one
- CAS No.: 578-95-0
- Molecular Weight：195.21700
- Modify Date.: 2022-11-08 18:14
- Introduction: 9(10H)-Acridone is a catabolic product of carbamazepine (C175840) metabolite and can be used as a fluorescent tag for antibody catalysis.
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1. Names and Identifiers
- 1.1 Name
- 9(10H)-ACRIDONE
- 1.2 Synonyms
10H-Acridin-9-one 9(10H)-Acridinone 9,10-Dihydro-9-oxoacridone 9-Acridanone 9-Acridone Acridanone acridin-9-(10H)-one Acridin-9-one Acridine, 9,10-dihydro-9-oxo- Acridone ACRIDONE, FOR FLUORESCENCE AURORA KA-3719 CK 103 CK 103 (heterocycle) NSC 408196 NSC 7664
- 1.3 CAS No.
- 578-95-0
- 1.4 CID
- 2015
- 1.5 EINECS(EC#)
- 209-434-7
- 1.6 Molecular Formula
- C13H9NO (isomer)
- 1.7 Inchi
- InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
- 1.8 InChkey
- FZEYVTFCMJSGMP-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2
- 1.10 Isomers Smiles
- C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2
2. Properties
- 2.1 Density
- 1.23 g/cm3
- 2.1 Melting point
- >300°C(lit.)
- 2.1 Boiling point
- 355ºC at 760 mmHg
- 2.1 Refractive index
- 1.642
- 2.1 Flash Point
- 155.049ºC
- 2.1 Precise Quality
- 195.06800
- 2.1 PSA
- 32.86000
- 2.1 logP
- 2.68130
- 2.1 Appearance
- light yellow to gold crystalline powder
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- YELLOW CRYSTALLINE POWDER
- 2.4 Color/Form
- Yellow
- 2.5 pKa
- -0.30±0.30(Predicted)
- 2.6 Water Solubility
- Insoluble in benzene, chloroform, ether, water and ethanol.
- 2.7 StorageTemp
- Refrigerator
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9.
- 3.2 Purification Methods
- Dissolve ~1g in ca 1% NaOH (100mL), add 3M HCl to pH 4 when acridone separates as a pale yellow solid with m just above 350o (sharp). It can be recrystallised from large volumes of H2O to give a few mg. It is soluble in 160 parts of boiling EtOH (540 parts at 22o) [Albert & Phillips J Chem Soc 1294 1956]. Afew decigms are best crystallised as the hydrochloride from 400 parts of 10N HCl (90% recovery) from which the free base is obtained by washing the salt with H2O. A small quantity can be recrystallised (as the neutral species) from boiling AcOH. Larger quantities are best recrystallised from a mixture of 5 parts of freshly distilled aniline and 12.5 parts of glacial acetic acid. Acridone distils unchanged at atmospheric pressure, but the boiling point was not recorded, and some sublimation occurs below 350o. It has UV: 399nm. [see max Albert, The Acridines Arnold Press pp 201, 372 1966; for pKa see Kalatzis J Chem Soc (B) 96 1969, Beilstein 23/9 V 7.] 9(10H)-ACRIDONE Preparation Products And Raw materials Preparation Products
- 3.3 Usage
- 9(10H)-Acridone is a catabolic product of carbamazepine (C175840) metabolite and can be used as a fluorescent tag for antibody catalysis.
4. Safety and Handling
- 4.1 Hazard Codes
- Xn
- 4.1 Risk Statements
- R22; R36/37/38
- 4.1 Safety Statements
- S22-S24/25-S37/39-S26
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- AR6976000
- 4.1 Report
-
It is reported in EPA TSCA Inventory.
- 4.2 Safety
-
Hazard Codes:?
Xn
Risk Statements: 36/37/38-22-40?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R22:Harmful if swallowed.?
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-24/25-37/39-26-36?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S37/39:Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS of 9-Acridone (CAS NO.578-95-0): AR6976000
- 4.3 Specification
-
? 9-Acridone (CAS NO.578-95-0), its Synonyms are Acridone ; Acridanone ; Acridin-9-one ; Acridine, 9,10-dihydro-9-oxo- ; 7H-Dibenz(a,j)acrid-14-one ; 9(10H)-Acridinone . It is yellow crystalline powder.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin irritation, Category 2
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
578-95-0Total: 106 Synthesis Route
9. Other Information
- 9.0 Usage
- 9(10H)-Acridone is used in the preparation of methyl 9,10-dihydro-9-oxoacridine-10-pentanoate, use for dyeing the organic materials.
10. Computational chemical data
- Molecular Weight: 195.21700g/mol
- Molecular Formula: C13H9NO
- Compound Is Canonicalized: True
- XLogP3-AA: 3
- Exact Mass: 195.068413911
- Monoisotopic Mass: 195.068413911
- Complexity: 239
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 29.1
- Heavy Atom Count: 15
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgAQAAAADAyBmAAwwILAAACIAqRSQACCAAAlAgAIiAEAZMgIIHrAlZGEIYhgkADIyccYiMCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
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ACRIDONE
- Purity:99%Packing: 200kg/bag FOB
- Price: 1 USD/kilogram
- Time: 2023/05/31
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