Basic information
- CAS
115933-50-1- Standard SMILES
COC(=O)c1ccc(O)c(C(F)(F)F)c1- InChIKey
WIXKYCQCCJXQPN-UHFFFAOYSA-N- Molecular formula
- C9H7F3O3
- Average molar mass
- 220.14 g/mol
- Monoisotopic mass
- 220.03472874
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
- IUPAC
- methyl 4-hydroxy-3-(trifluoromethyl)benzoate
- English name
- Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
- Molecular formula
- C9H7F3O3
- Molecular weight
- 220.15
Names & synonyms
Methyl 4-hydroxy-3-(trifluoromethyl)benzoate115933-50-14-Hydroxy-3-trifluoromethyl-benzoic acid methyl esterMFCD06204091Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-, methyl esterBenzoic acid,4-hydroxy-3-(trifluoromethyl)-, methyl estermethyl 3-(trifluoromethyl)-METHYL 4-HYDROXY-3-TRIFLUOROMETHYLBENZOATESCHEMBL399738SCHEMBL30792147DTXSID10553370CL8572
Show more names
Methyl 4-hydroxy-3-(trifluoromethyl)Methyl 3-(trifluoroMethyl)-4-hydroxybenzoate4-hydroxy-3-(trifluoromethyl)-Benzoic acid methyl ester (9CI ACI)Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-, methyl ester (9CI, ACI)
SBB095911AKOS015908621AC-1782CS-W022854FS-3265DA-32450SY064696F079811
Database identifiers
- CAS
115933-50-1- PubChem CID
- 13962148
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 167 · 167-169 °C
- Boiling point
- 266.1 · 266.1±40.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.37 · 6.37±0.43(Predicted)
- Appearance
- White to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers53 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Aladdin Scientific[email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Related reactions
11 records
Compound notes
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