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Basic information
- CAS
5447-86-9- Standard SMILES
CC1(C)c2ccccc2C(=O)c2ccccc21- InChIKey
GWFCYDIAPRIMLA-UHFFFAOYSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Names & identifiers
- Preferred name
- 10,10-Dimethylanthrone
- IUPAC
- 10,10-dimethylanthracen-9-one
- English name
- 10,10-Dimethylanthrone
- Molecular formula
- C16H14O
- Molecular weight
- 222.28
Names & synonyms
10,10-DimethylanthroneRefChem:4369245447-86-910,10-Dimethyl-9,10-dihydroanthracen-9-one10,10-dimethylanthracen-9-one10,10-Dimethylanthracen-9(10H)-one9(10H)-Anthracenone, 10,10-dimethyl-MFCD00204395C16H14OMLS002638559E3A9WP7V4R10,10-dimethyl-10h-anthracen-9-one
Show more names
226-666-4NSC 1753910,10-DimethyLdimethyl-anthroneMelitracen Impurity1,1-DimethylanthroneFlupentixol Impurity 9
NSC-17539SMR001548032NSC17539EINECS 226-666-4Melitracen Impurity DMelitracen Impurity 3UNII-E3A9WP7V4R10,10-DIMETHYL-9(10H)-ANTHRACENONE
Database identifiers
- CAS
5447-86-9- PubChem CID
- 79529
- DTXSID
DTXSID90202874- ChEMBL
CHEMBL1871596- UNII
- E3A9WP7V4R
- EC Number
- 226-666-4
- Nikkaji
- J210.491A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 101 · 101-103°C
- Boiling point
- 346.6 · 346.6±22.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- Off-White to Light Yellow
- InChI
- InChI=1S/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3
- InChIKey
- GWFCYDIAPRIMLA-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(C)(C)C3=C(C2=O)C=CC=C3)=CC=C1
- FDA UNII
- 3 A9WP7V4R · E3A9WP7V4R
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H226
- REACH Registrations
- Active
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Applications
UsesDerivative of Anthrone
Upstream & downstream products
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都伊诺达博医药科技有限公司028-85929779 18881048017 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Shandong ruiyue Biological Technology Co.，Ltd.008615066100122（Lily wechat） · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Related reactions
0 records
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Compound notes
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