Basic information
- CAS
84627-04-3- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccc(O)c(-c2ccccc2)c1- InChIKey
PKHPZNKXOBWFCX-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920893
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-3-phenylbenzoyl)benzoic acid
- IUPAC
- 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
- English name
- Fendizoic acid
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
2-(4-hydroxy-3-phenylbenzoyl)benzoic acidRefChem:457783617-597-4Fendizoic acid84627-04-32-(6-Hydroxy-[1,1'-biphenyl]-3-carbonyl)benzoic acidFENDIZOATE2-(6-HYDROXY-BIPHENYL-3-CARBONYL)-BENZOIC ACIDlevocloperastine fendizoic acid impurity2-[(6-Hydroxy[1,1'-biphenyl]-3-yl)carbonyl]benzoic acid432106-71-3MFCD00866824
Show more names
FendizoleacidC20H14O4 Fendizoic acid 84627-04-3Levocloperastine Fendizoic Acid Intermediate
2-{6-HYDROXY-[1,1'-BIPHENYL]-3-CARBONYL}BENZOIC ACIDFendizoatoFedizoic Acid2-(4-hydroxy-3-phenyl-benzoyl)benzoic AcidBenzoic acid, 2-[(6-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]-levocloperastine impurity-fendizoic acidLEVOCLOPERASTINE IMPURITYSCHEMBL9455577
Database identifiers
- CAS
84627-04-3- PubChem CID
- 163447
- DTXSID
DTXSID20276528- ChEMBL
CHEMBL2104248- EC Number
- 617-597-4
- Nikkaji
- J561.837A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 262 · 262-264 °C
- Boiling point
- 593.9 · 593.9±50.0 °C(Predicted)
- Density
- 1.305 · 1.305
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 3.28 · 3.28±0.36(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- InChI
- InChI=1S/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24)
- InChIKey
- PKHPZNKXOBWFCX-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC=C1C(C1C=CC(O)=C(C2=CC=CC=C2)C=1)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H412
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P312-P305+P351+P338-P330-P337+P313-P501
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid (EC: 617-597-4)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H412
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P273-P280-P301+P312-P305+P351+P338-P330-P337+P313-P501
Chemistry & industry
Applications
UsesFendizoic Acid is a reagent in the synthesis of fluorinated polyphthalazinone ethers containing perfluorophenylene moieties.
Upstream & downstream products
Upstream raw materials
Suppliers81 total
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [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]
南京科朗科技有限公司025-58748998 18951874644 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
南京胜凯医药科技有限公司025-86182925 17749516701 · [email protected]
Hangzhou Verychem Science And Technology Co.Ltd+86-86-57188162785 +8613606544505 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
昌邑市隆昌生物化工有限公司+86-13256193735; +86-13256193735 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
河南安基化工科技有限公司17836913271
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海相辉医药科技有限公司[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
1 records
Compound notes
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