Basic information
- CAS
175278-22-5- Standard SMILES
Nc1ccc(C(=O)O)cc1OC(F)(F)F- InChIKey
IXJFWBNYFTWBOR-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO3
- Average molar mass
- 221.13 g/mol
- Monoisotopic mass
- 221.02997771
Names & identifiers
- Preferred name
- 4-amino-3-(trifluoromethoxy)benzoic Acid
- IUPAC
- 4-amino-3-(trifluoromethoxy)benzoic acid
- English name
- 4-Amino-3-(trifluoromethoxy)benzoic acid
- Molecular formula
- C8H6F3NO3
- Molecular weight
- 221.13
Names & synonyms
4-amino-3-(trifluoromethoxy)benzoic Acid175278-22-5DTXSID00371040RefChem:97723DTXCID20322074630-313-34-amino-3-trifluoromethoxybenzoic acidBenzoic acid, 4-amino-3-(trifluoromethoxy)-MFCD00205143SCHEMBL417462CL8103AKOS005257322
Show more names
BUTTPARK 83\07-32RARECHEM AL BO 07984-Carboxy-2-(trifluoromethoxy)aniline4-Amine-3-(trifluoromethoxy)Benzoic acid4-Amino-3-(trifluoromethoxy)benzoicacid97%4-Amino-3-(trifluoromethoxy)benzoicacid,98%4-Amino-3-(trifluoromethoxy)benzoic acid 97%
4-amino-3-(trifluoromethyoxy)benzoic acid4-Amino-3-trifluoromethoxy benzoic acid3-(trifluoromethoxy)-4-aminobenzoicacid4-amino-3-trifluoromeA3892SBB052829CS-W014741FA64179
Database identifiers
- CAS
175278-22-5- PubChem CID
- 2735951
- DTXSID
DTXSID00371040- EC Number
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 168 °C · 168 °C
- Boiling point
- 303.2 · 303.2±42.0 °C(Predicted)
- Density
- 1.528 · 1.528±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.48 · 4.48±0.10(Predicted)
- Appearance
- White to light brown Solid
- CAS DataBase Reference
- 175278 · 175278-22-5(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
- Xi
- Risk Statements
- 36 · 36/37/38-43
- Safety Statements
- 22 · 22-36/37/39-37/39-26-36/37
- Hazard Note
- Irritant
Safety & regulation
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 9 reports by companies from 5 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
- 2922500090
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-36/37/39-37/39-26-36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Amino-3-(trifluoromethoxy)benzoic acid is a chemical compound that can be used in organic synthesis and research applications.
Upstream & downstream products
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
21 records
Compound notes
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