Basic information
- CAS
149105-10-2- Standard SMILES
COc1ccc(C(C)=O)cc1C(F)(F)F- InChIKey
ABUSWLOUSQWWLA-UHFFFAOYSA-N- Molecular formula
- C10H9F3O2
- Average molar mass
- 218.17 g/mol
- Monoisotopic mass
- 218.05546401
Names & identifiers
- Preferred name
- 4'-Methoxy-3'-(trifluoromethyl)acetophenone
- IUPAC
- 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone
- English name
- 4'-METHOXY-3'-(TRIFLUOROMETHYL)ACETOPHENONE
- Molecular formula
- C10H9F3O2
- Molecular weight
- 218.17
Names & synonyms
4'-Methoxy-3'-(trifluoromethyl)acetophenoneRefChem:506170640-251-9149105-10-21-(4-Methoxy-3-(trifluoromethyl)phenyl)ethanone1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanoneMFCD010910101-[4-Methoxy-3-(trifluoromethyl)phenyl]ethan-1-oneEthanone, 1-[4-methoxy-3-(trifluoromethyl)phenyl]-4-Methoxy-3-(trifluoromethyl)acetophenone4/'-METHOXY-3/'-(TRIFLUOROMETHYL)ACETOPHENONE1-(4-methoxy-3-(trifluoromethyl)phenyl)ethan-1-one
Show more names
1-(3-(TRIFLUOROMETHYL)-4-METHOXYPHENYL)ETHANONE4'-Methoxy-3'-(trifluoromethyl)acetophenone 98+%1-(4-Methoxy-3-(trifluoromethyl)phenyl)ethanone - [M93407]1-[4-Methoxy-3-(trifluoromethyl)phenyl]ethan-1-one, 5-Acetyl-2-methoxybenzotrifluoride, 4-Acetyl-2-(trifluoromethyl)anisole
SCHEMBL79042SCHEMBL29638900DTXSID403795005-Acetyl-2-methoxybenzotrifluoride;SBB095529AKOS005257602FS-20884'-methoxy-3'-trifluoromethylacetophenone
Database identifiers
- CAS
149105-10-2- PubChem CID
- 2775290
- DTXSID
DTXSID40379500- EC Number
- 640-251-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 259.2 · 259.2±40.0℃ (760 Torr)
- Density
- 1.222 · 1.222±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 107.3 · 107.3±22.2℃
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to light yellow Solid
- CAS DataBase Reference
- 149105 · 149105-10-2
- Symbol(GHS)
- 5 · GHS05,GHS02
- Signal word
- Danger
- Hazard statements
- 314 · H314-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2914500090 · 2914500090
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 7 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
- 2914500090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS02
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H314-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Applications
Uses1-[4-Methoxy-3-(trifluoromethyl)phenyl]ethanone is a reagent used in the synthesis of triazoles which maintain anti-hepatoma activity.
Suppliers58 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
安徽合诺生物科技有限公司0555-2761852
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
安徽合诺生物科技有限公司18455579438
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
百科源(成都)科技有限公司15021461747 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
天津安浩生物科技有限公司[email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
天津凯夫特科技有限公司022-58659859 13820733852 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
常州安赛普化工有限公司0519-86305871 13961213398 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海宏驹医药科技有限公司18001895509 · [email protected]
Related reactions
4 records
Compound notes
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