Basic information
- CAS
1707-95-5- Standard SMILES
O=C1CC(=C2C(=O)c3ccccc3C2=O)c2ccccc21- InChIKey
YMFDOLAAUHRURP-UHFFFAOYSA-N- Molecular formula
- C18H10O3
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06299418
Overview
reagent for quantitative analysis of benzocaine
Names & identifiers
- Preferred name
- Bindone
- IUPAC
- 2-(3-oxoinden-1-ylidene)indene-1,3-dione
- English name
- BINDONE
- Molecular formula
- C18H10O3
- Molecular weight
- 274.27
Names & synonyms
Bindone1707-95-5BindonAnhydrobis(indandione)2-(3-Oxo-1-indanylidene)-1,3-indandione2-(2,3-Dihydro-3-oxo-1H-inden-1-ylidene)-1H-indene-1,3(2H)-dione1H-Indene-1,3(2H)-dione, 2-(2,3-dihydro-3-oxo-1H-inden-1-ylidene)-NSC-26216INB7800050(delta1,2'-Biindan)-1',3,3'-trioneDTXSID00168932RefChem:917199
Show more names
PM125-trioneBindone Bindone, 98+%LABOTEST-BB LT00082749Δ1,2'-Biindan-1',3,3'-trioneANHYDRO-BIS-(INDAN-1,3-DIONE)[1,2'-biyl]-1',3,3'(2H)-trione
DTXCID6091423216-956-9[1,2'-Biindenylidene]-1',3,3'(2H)-trioneMFCD000212332-(3-oxoinden-1-ylidene)indene-1,3-dione1,2'-Biindanylidene-1',3,3'-trione1,3-INDANDIONE, 2-(3-OXO-1-INDANYLIDENE)-2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
1707-95-5- PubChem CID
- 15569
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Melting point
- 205 · 205-208°C
- Boiling point
- 357.26 °C · 357.26°C (rough estimate)
- Density
- 1.2968 · 1.2968 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- storage temp.
- Store at room temperature
- color
- Yellow plates
- BRN
- 1884961 · 1884961
- InChI
- InChI=1S/C18H10O3/c19-15-9-14(10-5-1-2-6-11(10)15)16-17(20)12-7-3-4-8-13(12)18(16)21/h1-8H,9H2
- InChIKey
- YMFDOLAAUHRURP-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(=O)/C/1=C1/C2=C(C=CC=C2)C(=O)C/1
- FDA UNII
- 7800050 · INB7800050
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- rtecs
- NK6050000
- Toxicity
- LDLo ipr-mus: 100 mg/kg ARTODN 33,191,75
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers55 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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