Basic information
- CAS
73269-32-6- Standard SMILES
O=C(O)c1ccc(-c2ccc(F)cc2)o1- InChIKey
CEPXYOAURAQQGM-UHFFFAOYSA-N- Molecular formula
- C11H7FO3
- Average molar mass
- 206.17 g/mol
- Monoisotopic mass
- 206.03792224
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)furan-2-carboxylic acid
- IUPAC
- 5-(4-fluorophenyl)furan-2-carboxylic acid
- English name
- 5-(4-Fluoro-phenyl)-furan-2-carboxylic acid
- Molecular formula
- C11H7FO3
- Molecular weight
- 206.17
Names & synonyms
5-(4-fluorophenyl)furan-2-carboxylic acidRefChem:530378828-306-773269-32-65-(4-Fluoro-phenyl)-furan-2-carboxylic acid5-(4-fluorophenyl)-2-furoic acidMFCD021045772-Furancarboxylic acid, 5-(4-fluorophenyl)-5-(4-Fluorophenyl)-2-carboxylic acidCambridge id 6018565ASISCHEM R16252Oprea1_566959
Show more names
Oprea1_800436AKOS BAR-0041SCHEMBL3054179TIMTEC-BB SBB010213DTXSID80353384CEPXYOAURAQQGM-UHFFFAOYSA-N5-(p-Fluorophenyl)-2-furoic acidLABOTEST-BB LT00569106
Database identifiers
- CAS
73269-32-6- PubChem CID
- 738991
- DTXSID
DTXSID80353384- EC Number
- 828-306-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 201 · 201-202°C
- Boiling point
- 364.1 · 364.1±32.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.08 · 3.08±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 73269 · 73269-32-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2932190090 · 2932190090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Applications
Uses5-(4-Fluorophenyl)furan-2-carboxylic Acid has been used in the receptor structure-based discovery of non-metabolite agonists for succinate receptor gpr91.
Upstream & downstream products
Downstream products
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
菏泽博揽生物医药科技有限公司17686525805 17686525805 · [email protected]
上海广洋嘉莉生物科技有限公司13127532723 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
24 records
Compound notes
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