Basic information
- CAS
84-12-8- Standard SMILES
O=C1C(=O)c2ncccc2-c2cccnc21- InChIKey
VLPADTBFADIFKG-UHFFFAOYSA-N- Molecular formula
- C12H6N2O2
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.04292744
Overview
Phanquone is an orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline. It derives from a hydride of a 4,7-phenanthroline.
Names & identifiers
- Preferred name
- 4,7-Phenanthroline-5,6-dione
- IUPAC
- 4,7-phenanthroline-5,6-dione
- English name
- phanquone
- Molecular formula
- C12H6N2O2
- Molecular weight
- 210.19
Names & synonyms
Phanquinone4,7-Phenanthroline-5,6-dionePHANQUONE84-12-8PhanquinonumEnthohexFanquinonaPhanchinonum4,7-Phenanthrolene-5,6-quinoneGNF-Pf-1759DTXSID3046112ID94IS6N8J
Show more names
EntrononCiba 11925phanquone USP/EP/BP4,7-phenanthrene-5,6-dione
C-11925DTXCID1026112CHEBI:59141RefChem:172418201-516-0EntobexPhanquinone [INN]4,7-Phenanthroline-5,6-quinone
Database identifiers
- CAS
84-12-8- PubChem CID
- 6764
- DTXSID
DTXSID3046112- ChEMBL
CHEMBL531048- ChEBI
CHEBI:59141- UNII
- ID94IS6N8J
- EC Number
- 201-516-0
- Nikkaji
- J4.892E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 295 ° · 295° (dec)
- Boiling point
- 349.71 °C · 349.71°C (rough estimate)
- Density
- 1.2785 · 1.2785 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -0.3 · -0.30±0.20(Predicted)
- form
- Solid
- color
- Crystals from methanol
- InChI
- InChI=1S/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H
- InChIKey
- VLPADTBFADIFKG-UHFFFAOYSA-N
- SMILES
- C1C2=C(C(=O)C(=O)C3=C2C=CC=N3)N=CC=1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 94 IS6N8J · ID94IS6N8J
- ATC code
- 1 AX04 · P01AX04
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 5 mg/kg ANTCAO 8,297,58 orl-mus LD50:4 mg/kg ANTCAO 8,297,58
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 orl-rat: 5 mg/kg ANTCAO 8,297,58 orl-mus LD50:4 mg/kg ANTCAO 8,297,58
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
P - Antiparasitic products, insecticides and repellents
QP - Antiparasitic products, insecticides and repellents
Applications
UsesPhenylamidone drugs are mainly used to treat amoebic dysentery and bacillary dysentery. Most existing synthetic methods involve nitrification, reduction, and hydrolysis of o-acetamipridanisole to produce 2,5-diaminoanisole sulfate, which is then reacted with glycerol and concentrated sulfuric acid in the presence of iodine and potassium iodide under heating to cyclize and obtain 6-methoxy-4,7-diaphenanthrene, which is then further oxidized to obtain the finished product.
Upstream & downstream products
Upstream raw materials
Suppliers35 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州氟拓化工科技有限公司13921981169 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
上海班科生物技术有限公司2221346380 17701603001 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海书吉生物科技有限公司021-021-62200788 15000569291 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海歆化化学科技有限公司086-18817515273 18817515273 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: An orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline.
Related reactions
4 records
Compound notes
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