Basic information
- CAS
76784-40-2- Standard SMILES
CC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F- InChIKey
CUKRFIGOPWVJGQ-UHFFFAOYSA-N- Molecular formula
- C12H10F6O3
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 316.0534135
Names & identifiers
- Preferred name
- 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one
- IUPAC
- 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethanone
- English name
- 2',5'-Bis(2,2,2-trifluoroethoxy)acetophenone
- Molecular formula
- C12H10F6O3
- Molecular weight
- 316.2
Names & synonyms
1-(2,5-bis(2,2,2-trifluoroethoxy)phenyl)ethanone1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethanone1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethan-1-oneEINECS 278-549-2DTXSID30998103RefChem:420542DTXCID201425099278-549-276784-40-22',5'-Bis(2,2,2-trifluoroethoxy)acetophenoneMFCD00042271
Show more names
Flecainide Impurity 42, 5-bis (2,2, 2-trifluoroethoxy) phenyl ethyl2',5'-Bis(2,2,2-trifluoroethoxy)acetophenone95%2',5'-Bis(2,2,2-trifluoroethoxy)acetophenone 95%1-[2,5-di(2,2,2-trifluoroethoxy)phenyl]ethan-1-one
2',5'-Bis(2,2,2-trifluoroethoxy)acetophenone, tech grade7H7MC2MDD7Ethanone,1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)acetophenoneFlecainide Impurity 18UNII-7H7MC2MDD7SCHEMBL1432938CS-M0606
Database identifiers
- CAS
76784-40-2- PubChem CID
- 2736073
- DTXSID
DTXSID30998103- UNII
- 7H7MC2MDD7
- EC Number
- 278-549-2
- Nikkaji
- J309.324G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Melting point
- 90 · 90-91°C
- Boiling point
- 283.7 · 283.7±40.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- FDA UNII
- 7 H7MC2MDD7 · 7H7MC2MDD7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HS Code
- 2914790090 · 2914790090
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26168
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]ethanone is used in preparation of Flecainide intermediate.
Suppliers30 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都翔才医药科技有限公司13683497877
Yiwu Huixian Trading Co., Ltd+undefined86-19158725587 · [email protected]
上海永增科技有限公司021-021-021-65281118 15921781258 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
常州新星联生物科技有限公司0519-85556579 13376258932 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
Hebei Runbin Biotechnology Co. LTD13180553332 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
河南广沃新材料有限公司15225201380 18336995067 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
38 records
Compound notes
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