Basic information
- CAS
456-03-1- Standard SMILES
CCC(=O)c1ccc(F)cc1- InChIKey
QIJNVLLXIIPXQT-UHFFFAOYSA-N- Molecular formula
- C9H9FO
- Average molar mass
- 152.16 g/mol
- Monoisotopic mass
- 152.06374313
Names & identifiers
- Preferred name
- 4-Fluoropropiophenone
- IUPAC
- 1-(4-fluorophenyl)propan-1-one
- English name
- 4'-Fluoropropiophenone
- Molecular formula
- C9H9FO
- Molecular weight
- 152.17
Names & synonyms
456-03-14-Fluoropropiophenone1-(4-Fluorophenyl)-1-propanoneDTXSID60196559EINECS 207-255-9NSC 63354RefChem:523473DTXCID50119050207-255-94'-Fluoropropiophenone1-(4-fluorophenyl)propan-1-onep-Fluoropropiophenone
Show more names
p-fluorophenoneFluorophenylacetoneLABOTEST-BB LT011483164-Fluoropropiophenone99%
1-Propanone, 1-(4-fluorophenyl)-Propiophenone, 4'-fluoro-MFCD00000356para-FluoropropiophenoneNSC63354NSC-63354SCHEMBL6553754'-Fluoropropiophenone, 98%
Database identifiers
- CAS
456-03-1- PubChem CID
- 68004
- DTXSID
DTXSID60196559- UNII
- FM9L77MB6C
- EC Number
- 207-255-9
- Nikkaji
- J58B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 100 · 100-102 °C (22 mmHg)
- Density
- 1.096 g/mL · 1.096 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5059(lit.)
- Flash point
- 170 °F · 170 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.096 · 1.096
- BRN
- 1210310 · 1210310
- InChI
- InChI=1S/C9H9FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
- InChIKey
- QIJNVLLXIIPXQT-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(F)C=C1)(=O)CC
- CAS DataBase Reference
- 456 · 456-03-1(CAS DataBase Reference)
- FDA UNII
- 9 L77MB6C · FM9L77MB6C
- NIST Chemistry Reference
- 1 · 1-Propanone, 1-(4-fluorophenyl)-(456-03-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 227 · H227-H319-H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P210e-P280a-P405-P501a-P210-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38
- Safety Statements
- 26 · 26-39-37/39
- RIDADR
- 2735 · 2735
- WGK Germany
- 2 · 2
- Hazard Note
- Irritant
- HS Code
- 29147000 · 29147000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (82%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (82%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- 2735
- hs_code
- 29147000
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-39-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H227-H319-H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338-P210e-P280a-P405-P501a-P210-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Chemistry & industry
Applications
Uses4′-Fluoropropiophenone was used in the preparation of 2-(4-fluorophenyl)-3-methylquinoxaline.
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
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Syntechem Co.,Ltd[email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
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Hebei shenghao import and export trade co. LTD+8618431136903
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
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KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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湖南华腾制药有限公司400-8592883 · [email protected]
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上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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Related reactions
29 records
Compound notes
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