Basic information
- CAS
95656-52-3- Standard SMILES
Nc1c(Cl)cc(C(=O)O)cc1C(F)(F)F- InChIKey
LZLSLGVFHCTZAH-UHFFFAOYSA-N- Molecular formula
- C8H5ClF3NO2
- Average molar mass
- 239.58 g/mol
- Monoisotopic mass
- 238.99609074
Names & identifiers
- Preferred name
- 4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid
- IUPAC
- 4-amino-3-chloro-5-(trifluoromethyl)benzoic acid
- English name
- 4-amino-3-chloro-5-trifluoromethyl-benzoic acid
- Molecular formula
- C8H5ClF3NO2
- Molecular weight
- 239.58
Names & synonyms
4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid95656-52-3DTXSID40405171RefChem:289914DTXCID103560254-AMINO-3-CHLORO-5-TRIFLUOROMETHYL-BENZOIC ACIDMFCD034267254-Amino-3-chloro-5-(trifluoromethyl);benzoic acid4-Amino-3-chloro-5-(trifluoromethyl)benzoicacidSCHEMBL3306839AKOS007930812SB81201
Show more names
Benzoic acid, 4-amino-3-chloro-5-(trifluoromethyl)-
AS-68868SY296900CS-03143904-Amino-3-chloro-5-trifluoromethylbenzoic acidW188774-amino-3-chloro-5-trifluoromethyl benzoic acid
Database identifiers
- CAS
95656-52-3- PubChem CID
- 4643549
- DTXSID
DTXSID40405171
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 228 · 228-236 ºC
- Boiling point
- 311.7 · 311.7±42.0 °C(Predicted)
- Density
- 1.6 · 1.600
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate, Methanol
- form
- Solid
- pka
- 4.06 · 4.06±0.10(Predicted)
- color
- Off-White
Chemistry & industry
Applications
UsesMabuterol intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers21 total
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
凯试（上海）科技有限公司021-50135380 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
Related reactions
4 records
Compound notes
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