Basic information
- CAS
168833-77-0- Standard SMILES
O=C(O)CCc1cccc(OC(F)(F)F)c1- InChIKey
WGEVFUNNEITJFQ-UHFFFAOYSA-N- Molecular formula
- C10H9F3O3
- Average molar mass
- 234.17 g/mol
- Monoisotopic mass
- 234.05037881
Names & identifiers
- Preferred name
- 3-[3-(Trifluoromethoxy)phenyl]propanoic acid
- IUPAC
- 3-[3-(trifluoromethoxy)phenyl]propanoic acid
- English name
- 3-(TRIFLUOROMETHOXY)HYDROCINNAMIC ACID
- Molecular formula
- C10H9F3O3
- Molecular weight
- 234.17
Names & synonyms
168833-77-03-(3-(Trifluoromethoxy)phenyl)propanoic acid3-[3-(trifluoromethoxy)phenyl]propanoic AcidDTXSID80380453RefChem:274074DTXCID70331479681-417-03-(TRIFLUOROMETHOXY)HYDROCINNAMIC ACIDMFCD013178343-(trifluoromethoxy)-benzenepropanoic acid3-[3-(TRIFLUOROMETHOXY)PHENYL]PROPIONIC ACIDBenzenepropanoic acid, 3-(trifluoromethoxy)-
Show more names
3-(3'-TRIFLUOROMETHOXYPHENYL)-PROPIONIC ACID3-[3-(Trifluoromethoxy)phenyl]propanoicacid97%3-[3-(Trifluoromethoxy)phenyl]propanoic acid 98%3-(TRIFLUOROMETHOXY)HYDROCINNAMIC ACID USP/EP/BP
3-trifluoromethoxypropionic acidSCHEMBL1271844SCHEMBL1510189SCHEMBL1510448SBB068017AKOS009157671FT67019PS-7670
Database identifiers
- CAS
168833-77-0- PubChem CID
- 2777288
- DTXSID
DTXSID80380453
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 276.9 · 276.9±35.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- liquid
- pka
- 4.56 · 4.56±0.10(Predicted)
- color
- Clear, colourless
- CAS DataBase Reference
- 168833 · 168833-77-0(CAS DataBase Reference)
- 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
- C,Xn
- Risk Statements
- 36 · 36/37/38-43-36-22
- Safety Statements
- 26 · 26-36-36/37
- Hazard Note
- Corrosive
- HS Code
- 2918999090 · 2918999090
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 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2918999090
- risk_code
- 36/37/38-43-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36-36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers36 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
苏州爱玛特生物科技有限公司
Related reactions
8 records
Compound notes
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