Basic information
- CAS
38627-57-5- Standard SMILES
O=C1c2cc3ccccc3cc2C(=O)C1(O)O- InChIKey
YEKNOJJZNVJMMZ-UHFFFAOYSA-N- Molecular formula
- C13H8O4
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.04225873
Names & identifiers
- Preferred name
- 1H-Benz[f]indene-1,3(2H)-dione, 2,2-dihydroxy-
- IUPAC
- 2,2-dihydroxycyclopenta[b]naphthalene-1,3-dione
- English name
- 2,2-DIHYDROXY-(1H)-BENZ[F]INDENE-1,3(2H)-DIONE MONOHYDRATE
- Molecular formula
- C13H8O4
- Molecular weight
- 228.2
Names & synonyms
38627-57-51H-Benz(f)indene-1,3(2H)-dione, 2,2-dihydroxy-DTXSID601919431H-Benz[f]indene-1,3(2H)-dione, 2,2-dihydroxy-RefChem:237429DTXCID00114434Benzo[f]ninhydrin monohydrate2,2-Dihydroxy-1H-cyclopenta[b]naphthalene-1,3(2H)-dione2,2-dihydroxycyclopenta[b]naphthalene-1,3-dione2,2-Dihydroxy-1H-benz[f]indene-1,3(2H)-dione2,2-Dihydroxybenz[f]indane-1,3-dioneSCHEMBL4395076
Show more names
2,2-DIHYDROXY-1H-BENZ[F]INDENE-1,3(2H)-DIONE, HYDRATEBENZO(F)NINHYDRIN HYDRATEBENZO(F)NINHYDRIN MONOHYDRATE FOR &7,2-Dihydroxy-1H-benz[f]indene-1,3(2H)-dione2,2-DIHYDROXY-1H-BENZ[F]INDENE-1,3(2H)-DIONE 93%2,2-Dihydroxy-1H-benz[f]indene-1,3(2H)-dione,ca 93%2,2-DIHYDROXY-(1H)-BENZ[F]INDENE-1,3(2H)-DIONE MONOHYDRATE
YEKNOJJZNVJMMZ-UHFFFAOYSA-NAKOS015913029DB-049311ST508257782,2-Dihydroxy-1H-cyclopenta[b]naphthalene-1,3(2H)-dione #2,2-dihydroxy-2-hydrocyclopenta[1,2-b]naphthalene-1,3-dioneBenzo[f]ninhydrin monohydrate, for fluorescence, >=98.0% (HPLC)
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 150 °C · 150 °C (dec.)(lit.)
- Boiling point
- 330 °C · 330°C (rough estimate)
- Density
- 1.3036 · 1.3036 (rough estimate)
- refractive index
- 1.4977 · 1.4977 (estimate)
- pka
- 8.36 · 8.360±0.20(predicted)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
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
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Suppliers3 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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