Basic information
- Standard SMILES
O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1- InChIKey
REDYCJOUKXVWEZ-UHFFFAOYSA-N- Molecular formula
- C14H9F3O3
- Average molar mass
- 282.21 g/mol
- Monoisotopic mass
- 282.05037881
Names & identifiers
- Preferred name
- 4-(4-(Trifluoromethyl)phenoxy)benzoic acid
- IUPAC
- 4-[4-(trifluoromethyl)phenoxy]benzoic acid
- English name
- 4-[4-(Trifluoromethyl)phenoxy]benzoic acid
- Molecular formula
- C14H9F3O3
- Molecular weight
- 282.21
Names & synonyms
78161-82-74-(4-(Trifluoromethyl)phenoxy)benzoic acid4-[4-(trifluoromethyl)phenoxy]benzoic AcidMFCD03840158F2197-0021Benzoic acid, 4-[4-(trifluoromethyl)phenoxy]-4-(4-(Trifluoromethyl)phenoxy)benzoicacid4-(4-Trifluoromethyl-phenoxy)-benzoic acidSCHEMBL1452722DTXSID20394897SMSSF-0533804AR1904
Show more names
4-[4-(TRIFLUROMETHYL)PHENOXY]BENZOIC ACID
AKOS011515037AS-45235SY0373424-(4-Trifluoromethyl-phenoxy)benzoic acidp-[p-(trifluoromethyl)phenoxy]benzoic acidDB-2950604-[4-(Trifluoromethyl)phenoxy]-benzoic acidCS-0035462
Database identifiers
- CAS
78161-82-7- PubChem CID
- 3673481
- DTXSID
DTXSID20394897- EC Number
- 880-817-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 367.1 · 367.1±42.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.22 · 4.22±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers25 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Wuxi Rejoys chemical Technology Co., Ltd.0510-86103381 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
9 records
Linked notes
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