Basic information
- CAS
369-33-5- Standard SMILES
CC(=O)c1ccc(F)c(F)c1- InChIKey
VWJSSJFLXRMYNV-UHFFFAOYSA-N- Molecular formula
- C8H6F2O
- Average molar mass
- 156.13 g/mol
- Monoisotopic mass
- 156.03867125
Overview
1-(3,4-Difluorophenyl)ethan-1-one is an aromatic ketone.
Names & identifiers
- Preferred name
- 1-(3,4-Difluorophenyl)ethan-1-one
- IUPAC
- 1-(3,4-difluorophenyl)ethanone
- English name
- 3',4'-Difluoroacetophenone
- Molecular formula
- C8H6F2O
- Molecular weight
- 156.13
Names & synonyms
369-33-51-(3,4-difluorophenyl)ethanone1-(3,4-Difluorophenyl)ethan-1-oneEINECS 206-717-7VWJSSJFLXRMYNV-UHFFFAOYSA-DTXSID40190378RefChem:422819DTXCID50112869206-717-7InChI=1/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H33',4'-Difluoroacetophenone3,4-Difluoroacetophenone
Show more names
4´3',4'-Difluoro3',4'-DifluoroacetopOTAVA-BB BB70204100773,4-Difluoroacetophenone,98%3',4'-Difluoroacetophenone99%3',4'-Difluoroacetophenone>
Ethanone, 1-(3,4-difluorophenyl)-MFCD000098911-(3,4-Difluoro-phenyl)-ethanone3',4'-Difluoroacetophenone, 97%EN300-176063,4,-DifluoroacetophenoneFT-06142713,4-difluoro acetophenone
Database identifiers
- CAS
369-33-5- PubChem CID
- 123052
- DTXSID
DTXSID40190378- ChEBI
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 19 · 19-20 °C(lit.)
- Boiling point
- 94 · 94-95 °C13 mm Hg(lit.)
- Density
- 1.246 g/mL · 1.246 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4916(lit.)
- Flash point
- 167 °F · 167 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- Specific Gravity
- 1.246 · 1.246
- Water Solubility
- INSOLUBLE
- BRN
- 2206856 · 2206856
- InChI
- 1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
- InChIKey
- VWJSSJFLXRMYNV-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(F)c(F)c1
- CAS DataBase Reference
- 369 · 369-33-5(CAS DataBase Reference)
Safety & regulation
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
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- 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′,4′-Difluoroacetophenone may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司
Related reactions
28 records
Compound notes
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