Basic information
- CAS
1007-15-4- Standard SMILES
CC(=O)c1ccc(F)c(Br)c1- InChIKey
SZDWTGAORQQQGY-UHFFFAOYSA-N- Molecular formula
- C8H6BrFO
- Average molar mass
- 217.03 g/mol
- Monoisotopic mass
- 215.95860513
Names & identifiers
- Preferred name
- 1-(3-Bromo-4-fluorophenyl)ethan-1-one
- IUPAC
- 1-(3-bromo-4-fluorophenyl)ethanone
- English name
- 3'-Bromo-4'-fluoroacetophenone
- Molecular formula
- C8H6BrFO
- Molecular weight
- 217.04
Names & synonyms
1007-15-41-(3-Bromo-4-fluorophenyl)ethanone1-(3-Bromo-4-fluorophenyl)ethan-1-oneEINECS 213-750-0SZDWTGAORQQQGY-UHFFFAOYSA-DTXSID50143456RefChem:423383DTXCID4065947213-750-0InChI=1/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H33'-Bromo-4'-fluoroacetophenone3-Bromo-4-fluoroacetophenone
Show more names
3-Bromo-4-fluoroacetphenone4-Acetyl-2-bromo-1-fluorobenzene3'-Bromo-4'-fluoroacetophenone97%3'-Bromo-4'-fluoroacetophenone >3- BROMO-4-FLUOROACETOPHENONE 98+%
Ethanone, 1-(3-bromo-4-fluorophenyl)-MFCD000424663/'-Bromo-4/'-fluoroacetophenone1-(4-fluoro-3-bromo-phenyl)-ethanone1-acetyl-3-bromo-4-fluorobenzene3 inverted exclamation mark -Bromo-4 inverted exclamation mark -fluoroacetophenone3'-Bromo-4'-fluoroacetophone1-(3-bromo-4-fluoro-phenyl)ethanone
Database identifiers
- CAS
1007-15-4- PubChem CID
- 70508
- DTXSID
DTXSID50143456- EC Number
- 213-750-0
- Nikkaji
- J217.118J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 52 · 52-57 °C(lit.)
- Boiling point
- 150 °C · 150°C 12mm
- Density
- 1.5728 · 1.5728 (rough estimate)
- refractive index
- 1.545 · 1.5450 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- BRN
- 3088698 · 3088698
- InChI
- 1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
- InChIKey
- SZDWTGAORQQQGY-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(F)c(Br)c1
- CAS DataBase Reference
- 1007 · 1007-15-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 48 reports by companies from 7 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
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- 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-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3′-Bromo-4′-fluoroacetophenone is also referred as 3-bromo-4-fluoro-acetophenone. Palladium-catalyzed amination of 3-bromo-4-fluoro-acetophenone has been reported.
General Description3′-Bromo-4′-fluoroacetophenone is also referred as 3-bromo-4-fluoro-acetophenone. Palladium-catalyzed amination of 3-bromo-4-fluoro-acetophenone has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [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]
上海策嵘生物科技有限公司[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Related reactions
31 records
Compound notes
Loading…