Basic information
- CAS
2195-47-3- Standard SMILES
O=C(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
ICDAYOOBGHYICW-UHFFFAOYSA-N- Molecular formula
- C13H8FNO3
- Average molar mass
- 245.21 g/mol
- Monoisotopic mass
- 245.04882134
Names & identifiers
- Preferred name
- Methanone, (4-fluorophenyl)(4-nitrophenyl)-
- IUPAC
- (4-fluorophenyl)-(4-nitrophenyl)methanone
- English name
- 4-FLUORO-4'-NITROBENZOPHENONE
- Molecular formula
- C13H8FNO3
- Molecular weight
- 245.21
Names & synonyms
4-Fluoro-4'-nitrobenzophenone2195-47-3G4L8FX8EU5Methanone, (4-fluorophenyl)(4-nitrophenyl)-NSC-141018DTXSID80176358RefChem:1089122DTXCID0098849(4-fluorophenyl)(4-nitrophenyl)methanone(4-fluorophenyl)-(4-nitrophenyl)methanoneMFCD00053428C13H8FNO3
Show more names
4-Fluoro-4'-nitrobenzophenone98%4-Fluoro-4'-nitrobenzophenone 98%4-Fluoro-4′-nitrobenzophenone, CAS 2195-47-3
4-fluorophenyl 4-nitrophenyl ketone4-nitro-4'-fluorobenzophenoneMethanone,(4-fluorophenyl)(4-nitrophenyl)-Maybridge1_002217UNII-G4L8FX8EU5Oprea1_1196784-fluoro-4-nitrobenzophenoneSCHEMBL1642912
Database identifiers
- CAS
2195-47-3- PubChem CID
- 97658
- DTXSID
DTXSID80176358- UNII
- G4L8FX8EU5
- EC Number
- 670-565-1
- Nikkaji
- J308.043I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 87 · 87-89°C
- Boiling point
- 397.2 · 397.2±27.0 °C(Predicted)
- Density
- 1.335 · 1.335
- storage temp.
- Store at room temperature
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C13H8FNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H
- InChIKey
- ICDAYOOBGHYICW-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(F)C=C1)(C1=CC=C([N+]([O-])=O)C=C1)=O
- CAS DataBase Reference
- 2195 · 2195-47-3(CAS DataBase Reference)
- FDA UNII
- 4 L8FX8EU5 · G4L8FX8EU5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
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)
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%)
Safety data
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers31 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Related reactions
23 records
Compound notes
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