Basic information
- CAS
42444-14-4- Standard SMILES
CC(=O)c1ccc(C)c(F)c1- InChIKey
XAMNMGLEJNLUIH-UHFFFAOYSA-N- Molecular formula
- C9H9FO
- Average molar mass
- 152.16 g/mol
- Monoisotopic mass
- 152.06374313
Names & identifiers
- Preferred name
- 1-(3-Fluoro-4-methylphenyl)ethan-1-one
- IUPAC
- 1-(3-fluoro-4-methylphenyl)ethanone
- English name
- 3'-Fluoro-4'-methylacetophenone
- Molecular formula
- C9H9FO
- Molecular weight
- 152.17
Names & synonyms
1-(3-fluoro-4-methylphenyl)ethan-1-oneRefChem:423807670-266-63'-Fluoro-4'-methylacetophenone42444-14-41-(3-fluoro-4-methylphenyl)ethanoneMFCD016314113-Fluoro-4-methylacetophenoneAKOS0091576801-(3-Fluoro-4-methyl-phenyl)ethanoneSY101084CS-0093746
Show more names
3'-fluoro-4'-methylbenzenethyloneEthanone, 1-(3-fluoro-4-methylphenyl)-1-(3-Fluoro-4-methylphenyl)ethanone - [F93043]3′-Fluoro-4′-methylacetophenone, CAS 42444-14-41-(3-Fluoro-4-methylphenyl)ethan-1-one, 4-Acetyl-2-fluorotoluene
Z5137354321-acetyl-3-fluoro-4-methylbenzeneFT-0647717A872885SCHEMBL1926473SCHEMBL7255048SCHEMBL30881474DTXSID40379101
Database identifiers
- CAS
42444-14-4- PubChem CID
- 2774569
- DTXSID
DTXSID40379101- EC Number
- 670-266-6
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 156
Physicochemical properties
- Melting point
- 31 · 31-34°C
- Boiling point
- 217.5 · 217.5±20.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 2914790090 · 2914790090
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 6 reports by companies from 3 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
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers55 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
9 records
Compound notes
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