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Basic information
- CAS
957-56-2- Standard SMILES
O=C1c2ccccc2C(=O)C1c1ccc(F)cc1- InChIKey
NASXCEITKQITLD-UHFFFAOYSA-N- Molecular formula
- C15H9FO2
- Average molar mass
- 240.233 g/mol
- Monoisotopic mass
- 240.05865775
Names & identifiers
- Preferred name
- Fluindione
- IUPAC
- 2-(4-Fluorophenyl)-1H-indene-1,3(2H)-dione
- English name
- fluindione
- Molecular formula
- C15H9FO2
- Molecular weight
- 240.23
Names & synonyms
LM 123Previscanfluindionefluorindione2-(p-Fluorophenyl)-1,3-indandione2-(4-fluorophenyl)indene-1,3-dioneFluindione 100 μg/mL in Acetonitrile2-(4-fluorophenyl)indane-1,3-quinone2-(4-Fluorophenyl)-1H-indene-1,3(2H)-dione1H-Indene-1,3(2H)-dione, 2-(4-fluorophenyl)-
Database identifiers
- CAS
957-56-2- PubChem CID
- 68942
- DTXSID
DTXSID1046211- ChEMBL
CHEMBL24924- ChEBI
CHEBI:134975- UNII
- EQ35YMS20Q
- EC Number
- 213-484-5
- Nikkaji
- J7.190K
Properties
Physicochemical properties
- Melting point
- 120 ° · 120°
- Boiling point
- 406.3 · 406.3±45.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.41 · 7.41±0.20(Predicted)
- color
- Dark Red to Very Dark Purple
- InChI
- 1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
- InChIKey
- NASXCEITKQITLD-UHFFFAOYSA-N
- SMILES
- O=C1C2=C(C(C1C3=CC=C(C=C3)F)=O)C=CC=C2
- FDA UNII
- 35 YMS20Q · EQ35YMS20Q
- ATC code
- 1 AA12 · B01AA12
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · WGK 3
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 50 orally · LD50 orally in mice: 240 mg/kg (Fontaine)
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
- WGK 3
- ridadr
- 2811
- Toxicity
- LD50 orally in mice: 240 mg/kg (Fontaine)
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesA vitamin K antagonist with anticoagulant applications
Suppliers32 total
北京华美互利生物化工010-56205725 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
西安泽邦生物科技有限公司[email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
上海寰川实业有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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