Basic information
- CAS
855915-21-8- Standard SMILES
O=C(O)c1ccc(C(F)(F)F)c(Cl)n1- InChIKey
PPQPJHRYVXXZTI-UHFFFAOYSA-N- Molecular formula
- C7H3ClF3NO2
- Average molar mass
- 225.55 g/mol
- Monoisotopic mass
- 224.98044068
Names & identifiers
- Preferred name
- 6-Chloro-5-(trifluoromethyl)picolinic acid
- IUPAC
- 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
- English name
- 6-Chloro-5-(trifluoroMethyl)picolinic acid
- Molecular formula
- C7H3ClF3NO2
- Molecular weight
- 225.55
Names & synonyms
6-Chloro-5-(trifluoromethyl)picolinic acid855915-21-86-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACIDMFCD182574386-Chloro-5-(trifluoromethyl)picolinicacidSCHEMBL6255502DTXSID70743795AKOS016002728CS-W022487DS-3548SY113996A863532
Show more names
6-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid2-Pyridinecarboxylic acid, 6-chloro-5-(trifluoromethyl)-
AB74929DB-242755F220962
Database identifiers
- CAS
855915-21-8- PubChem CID
- 70701016
- DTXSID
DTXSID70743795
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 314.1 · 314.1±42.0 °C(Predicted)
- Density
- 1.603 · 1.603±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.76 · 2.76±0.10(Predicted)
- Appearance
- White to off-white 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
- 9999999999 · 9999999999
Safety & regulation
Safety data
- hs_code
- 9999999999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers37 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
7 records
Compound notes
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