Basic information
- CAS
398-23-2- Standard SMILES
Fc1ccc(-c2ccc(F)cc2)cc1- InChIKey
PZDAAZQDQJGXSW-UHFFFAOYSA-N- Molecular formula
- C12H8F2
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.05940658
Overview
induces drug metabolism enzymes
Names & identifiers
- Preferred name
- 4,4'-Difluoro-1,1'-biphenyl
- IUPAC
- 1-fluoro-4-(4-fluorophenyl)benzene
- English name
- 4,4'-Difluorobiphenyl
- Molecular formula
- C12H8F2
- Molecular weight
- 190.19
Names & synonyms
4,4'-Difluorobiphenyl398-23-24,4'-Difluoro-1,1'-biphenyl4,4'-Difluorodiphenyl1,1'-Biphenyl, 4,4'-difluoro-O0694GMK81NSC-4173DTXSID20192870RefChem:506645DTXCID60115361206-910-61-fluoro-4-(4-fluorophenyl)benzene
Show more names
pfb 154.4'-DifluorobFelbinac Impurity 40p,p’-difluorobiphenyl
4,4-Difluoro-1,1-biphenylAprepitant impurity 64Biphenyl, 4,4'-difluoro-MFCD00000349P,P'-DIFLUOROBIPHENYLPZDAAZQDQJGXSW-UHFFFAOYSA-NSC4173Biphenyl,4'-difluoro-
Database identifiers
- CAS
398-23-2- PubChem CID
- 9811
- DTXSID
DTXSID20192870- UNII
- O0694GMK81
- EC Number
- 206-910-6
- Nikkaji
- J43.472H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionSolid with an aromatic odor; [Merck Index] White crystalline solid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 88 · 88-91 °C(lit.)
- Boiling point
- 254 · 254-255 °C(lit.)
- Density
- 1.247 · 1.2470 (rough estimate)
- refractive index
- 1.5678 · 1.5678 (estimate)
- Flash point
- 254 · 254-255°C
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- Insoluble
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
This chemical does not meet GHS hazard criteria for 3.9% (3 of 76) of reports.
Warning
H315 (90.8%): 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 76 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryInduces drug metabolism enzymes. [ChemIDplus] A skin and strong eye irritant; [Aldrich MSDS] See Polychlorinated biphenyls.
Hazard Classes and CategoriesSkin Irrit. 2 (90.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3152 9/PG 2
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海博尼麦德新材料科技有限公司13764849732 13764849732
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
Related reactions
2 records
Compound notes
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