Basic information
- CAS
57592-43-5- Standard SMILES
O=Cc1ccc(-c2ccccc2)c(F)c1- InChIKey
BBFKVFLWRKZSPM-UHFFFAOYSA-N- Molecular formula
- C13H9FO
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.06374313
Names & identifiers
- Preferred name
- 2-Fluorobiphenyl-4-carboxaldehyde
- IUPAC
- 3-fluoro-4-phenylbenzaldehyde
- English name
- 2-Fluorobiphenyl-4-carboxaldehyde 97
- Molecular formula
- C13H9FO
- Molecular weight
- 200.21
Names & synonyms
57592-43-52-Fluorobiphenyl-4-carboxaldehydeDTXSID90374641RefChem:472622DTXCID70325671624-076-53-fluoro-4-phenylbenzaldehyde2-Fluoro-[1,1'-biphenyl]-4-carbaldehydeMFCD056642202-Fluoro-biphenyl-4-carboxaldehyde2-fluoro-biphenyl-4-carbaldehyde3-fluoro-4-phenyl-benzaldehyde
Show more names
2-Fluorobiphenyl-4-carboxaldehyde 97[1,1'-Biphenyl]-4-carboxaldehyde, 2-fluoro-
2-fluorobiphenyl-4-carbaldehydeSCHEMBL257774SCHEMBL2322002BBFKVFLWRKZSPM-UHFFFAOYSA-NAKOS0159129572-Fluorobiphenyl-4-carboxaldehyde, 97%2-Fluoro[1,1'-biphenyl]-4-carbaldehydeAS-47774
Database identifiers
- CAS
57592-43-5- PubChem CID
- 2759083
- DTXSID
DTXSID90374641- EC Number
- 624-076-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 27 · 27-31 °C (lit.)
- Boiling point
- 315.8 · 315.8±30.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- Flash point
- 230 °C · >230 °C
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C13H9FO/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-9H
- InChIKey
- BBFKVFLWRKZSPM-UHFFFAOYSA-N
- SMILES
- Fc1cc(C=O)ccc1-c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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]
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Fluorobiphenyl-4-carboxaldehyde may be used as a starting material in the synthesis of (2-fluoro-1,1′-biphenyl-4-yl)acetic acid, a novel unsubstituted flurbiprofen (FLU) derivative.
General Description2-Fluorobiphenyl-4-carboxaldehyde is an oxygen-containing polycyclic aromatic hydrocarbon derivative (OPAH).
Suppliers17 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Related reactions
16 records
Compound notes
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